(3S,4R)-1-cyclopentyl-3,4-difluoropyrrolidine

C9H15F2N — CID 67175459

IUPAC(3S,4R)-1-cyclopentyl-3,4-difluoropyrrolidine
SMILESF[C@@H]1CN(C2CCCC2)C[C@@H]1F
InChIInChI=1S/C9H15F2N/c10-8-5-12(6-9(8)11)7-3-1-2-4-7/h7-9H,1-6H2/t8-,9+
InChIKeyVMCQXOPSZLYBOQ-DTORHVGOSA-N
MW175.22 g/mol
LogP1.92
Rot. Bonds1

About (3S,4R)-1-cyclopentyl-3,4-difluoropyrrolidine

(3S,4R)-1-cyclopentyl-3,4-difluoropyrrolidine (PubChem CID 67175459) has the molecular formula C9H15F2N and a molecular weight of 175.22 g/mol. Its IUPAC name is (3S,4R)-1-cyclopentyl-3,4-difluoropyrrolidine.

Molecular Properties

Compound Name(3S,4R)-1-cyclopentyl-3,4-difluoropyrrolidine
PubChem CID67175459
Molecular FormulaC9H15F2N
Molecular Weight175.22 g/mol
Exact Mass175.12
IUPAC Name(3S,4R)-1-cyclopentyl-3,4-difluoropyrrolidine
SMILESF[C@@H]1CN(C2CCCC2)C[C@@H]1F
InChIInChI=1S/C9H15F2N/c10-8-5-12(6-9(8)11)7-3-1-2-4-7/h7-9H,1-6H2/t8-,9+
InChIKeyVMCQXOPSZLYBOQ-DTORHVGOSA-N
XLogP1.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.22
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclohexyl-3,4-difluoropyrrolidine
CID 53420720
1-cyclopentylazetidin-3-ol
CID 56828199
1-cyclobutyl-3-fluoro-4-methylpiperidine
CID 130674980
3-cyclohexyl-3-azabicyclo[3.1.0]hexane
CID 142330158
1-cyclodecyl-3-methylazetidine
CID 155016918
5-cyclopentyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66213126
3-cyclohexyl-6-oxa-3-azabicyclo[3.1.1]heptane
CID 156712366
1-cyclopentyl-3-ethylazetidine
CID 126716457
(3R,4R)-1-cyclohexyl-3,4-diethylpyrrolidine
CID 90238924
3-tert-butyl-1-cyclohexylazetidine
CID 122606400
(2R,6R)-4-cyclohexyl-2,6-dimethylmorpholine
CID 23262067
(3R)-1-cyclopentylpyrrolidin-3-amine;hydrochloride
CID 90422333

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-cyclopentyl-3,4-difluoropyrrolidine?
The IUPAC name of (3S,4R)-1-cyclopentyl-3,4-difluoropyrrolidine (CID 67175459) is (3S,4R)-1-cyclopentyl-3,4-difluoropyrrolidine.
What is the SMILES notation for (3S,4R)-1-cyclopentyl-3,4-difluoropyrrolidine?
The canonical SMILES for (3S,4R)-1-cyclopentyl-3,4-difluoropyrrolidine is F[C@@H]1CN(C2CCCC2)C[C@@H]1F.
What is the InChIKey of (3S,4R)-1-cyclopentyl-3,4-difluoropyrrolidine?
The InChIKey is VMCQXOPSZLYBOQ-DTORHVGOSA-N. The full InChI is InChI=1S/C9H15F2N/c10-8-5-12(6-9(8)11)7-3-1-2-4-7/h7-9H,1-6H2/t8-,9+.
What are the key properties of (3S,4R)-1-cyclopentyl-3,4-difluoropyrrolidine?
(3S,4R)-1-cyclopentyl-3,4-difluoropyrrolidine has a molecular weight of 175.22 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-cyclopentyl-3,4-difluoropyrrolidine is sourced from PubChem (CID 67175459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).