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3,3-Difluoro-L-proline

CAT: 0572-TRC-D452020-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D452020-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1932019-87-8
Hazard Statement
No Data Available
Smiles
OC(=O)[C@H]1NCCC1(F)F
Molecular Formula
C5 H7 F2 N O2
Molecular Weight
151.111
InChI
InChI=1S/C5H7F2NO2/c6-5(7)1-2-8-3(5)4(9)10/h3,8H,1-2H2,(H,9,10)/t3-/m1/s1
Additionnal Information
IUPAC name: (2R)-3,3-difluoropyrrolidine-2-carboxylic acid
Shipping Conditions
Room Temperature

Chemical Information

3,3-Difluoro-L-proline
CAS Number1932019-87-8
PubChem CID45082012
IUPAC Name(2R)-3,3-difluoropyrrolidine-2-carboxylic acid
Molecular FormulaC5H7F2NO2
Molecular Weight151.11
XLogP-2.1
Topological Polar Surface Area49.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity160
SMILES
C1CN[C@@H](C1(F)F)C(=O)O
InChI
InChI=1S/C5H7F2NO2/c6-5(7)1-2-8-3(5)4(9)10/h3,8H,1-2H2,(H,9,10)/t3-/m1/s1
InChIKey
AKYUQSFIIOIBHO-GSVOUGTGSA-N
Chemical Structure
2D Structure
2D structure of 3,3-Difluoro-L-proline
CAS: 1932019-87-8
CID: 45082012
Formula: C5H7F2NO2
MW: 151.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight151.11
XLogP3-2.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count1
Exact Mass151.04448479
Monoisotopic Mass151.04448479
Topological Polar Surface Area49.3 Ų
Heavy Atom Count10
Formal Charge0
Complexity160
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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