2-Fluoro-5-methylhexanoic acid

CAT: 0926-FAA65999-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-FAA65999-01Size:50 mg

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CAS Number

5659-99-4

MDL Number

MFCD19229498

Smiles

CC (C) CCC (C (=O) O) F

Molecular Formula

C7H13FO2

Molecular Weight

148.18 g/mol

Controlled

Chemical Information

2-Fluoro-5-methylhexanoic acid

CAS Number	5659-99-4
PubChem CID	55299634
IUPAC Name	2-fluoro-5-methylhexanoic acid
Molecular Formula	C7H13FO2
Molecular Weight	148.18
XLogP	2.2
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	10
Formal Charge	0
Complexity	112

SMILES

CC(C)CCC(C(=O)O)F

InChI

InChI=1S/C7H13FO2/c1-5(2)3-4-6(8)7(9)10/h5-6H,3-4H2,1-2H3,(H,9,10)

InChIKey

ODIHSKPVAUZUKP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5659-99-4

CID: 55299634

Formula: C7H13FO2

MW: 148.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	148.18
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	148.08995782
Monoisotopic Mass	148.08995782
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	112
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
ZCA10660-01	2-Fluoro-2-methylhexanoic acid
FAA44033-01	2-Acetamido-5-methylhexanoic acid
GCA25678-01	2-Bromo-5-methylhexanoic acid
HCA22444-01	2-Amino-5-methylhexanoic acid hydrochloride
ZBA64251-01	(2S) -2-Methylhexanoic acid
KCA18296-01	2-Amino-3-methylhexanoic acid
EGC64329-01	2-{[ (tert-butoxy) carbonyl]amino}-5-methylhexanoic acid
SMC88956-01	(3S) -3- (Acetamidomethyl) -5-methylhexanoic acid
SMC88536-01	(3S) -3- (Formamidomethyl) -5-methylhexanoic acid
FA140304-01	(R) -3- (2-Amino-2-oxoethyl) -5-methylhexanoic acid

Catalog	Name
283310-01	5-Methylhexanoic acid
PC3196	2-[ (3-Fluoro-4-methoxyphenyl) sulphonylamino]-5-methylhexanoic acid
TRC-A192141-1G	2-Amino-5-methylhexanoic Acid
OR1060719-01	2-Isopropyl-5-methylhexanoic acid
T8080-01	2-Methylhexanoic acid
HY-128371-01	2-Methylhexanoic acid
MBS5786128	2-?Methylhexanoic acid
463729-01	(R) -2-Amino-5-methylhexanoic acid