2,6-Diethyl-4-fluorophenol

CAT: 0127-PC31412Size: 1 EachDry Ice: NoHazardous: No

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CAS Number

2928-20-3

MDL Number

MFCD00829441

Purity

=95%

Smiles

CCc1cc(F)cc(CC)c1O

Chemical Information

2,6-Diethyl-4-fluorophenol

CAS Number	2928-20-3
PubChem CID	2779876
IUPAC Name	2,6-diethyl-4-fluorophenol
Molecular Formula	C10H13FO
Molecular Weight	168.21
XLogP	2.8
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	124

SMILES

CCC1=CC(=CC(=C1O)CC)F

InChI

InChI=1S/C10H13FO/c1-3-7-5-9(11)6-8(4-2)10(7)12/h5-6,12H,3-4H2,1-2H3

InChIKey

HVGBJJQMGLTAAS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2928-20-3

CID: 2779876

Formula: C10H13FO

MW: 168.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	168.21
XLogP3	2.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	168.095043196
Monoisotopic Mass	168.095043196
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	124
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes