(3S)-3-(2,2-difluoroethenyl)pyrrolidine

C6H9F2N — CID 141166322

IUPAC(3S)-3-(2,2-difluoroethenyl)pyrrolidine
SMILESFC(F)=C[C@@H]1CCNC1
InChIInChI=1S/C6H9F2N/c7-6(8)3-5-1-2-9-4-5/h3,5,9H,1-2,4H2/t5-/m0/s1
InChIKeySRWFLZVCZDKYET-YFKPBYRVSA-N
MW133.14 g/mol
LogP1.38
Rot. Bonds1

About (3S)-3-(2,2-difluoroethenyl)pyrrolidine

(3S)-3-(2,2-difluoroethenyl)pyrrolidine (PubChem CID 141166322) has the molecular formula C6H9F2N and a molecular weight of 133.14 g/mol. Its IUPAC name is (3S)-3-(2,2-difluoroethenyl)pyrrolidine.

Molecular Properties

Compound Name(3S)-3-(2,2-difluoroethenyl)pyrrolidine
PubChem CID141166322
Molecular FormulaC6H9F2N
Molecular Weight133.14 g/mol
Exact Mass133.07
IUPAC Name(3S)-3-(2,2-difluoroethenyl)pyrrolidine
SMILESFC(F)=C[C@@H]1CCNC1
InChIInChI=1S/C6H9F2N/c7-6(8)3-5-1-2-9-4-5/h3,5,9H,1-2,4H2/t5-/m0/s1
InChIKeySRWFLZVCZDKYET-YFKPBYRVSA-N
XLogP1.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.14
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2,2-difluoroethenyl)pyrrolidine?
The IUPAC name of (3S)-3-(2,2-difluoroethenyl)pyrrolidine (CID 141166322) is (3S)-3-(2,2-difluoroethenyl)pyrrolidine.
What is the SMILES notation for (3S)-3-(2,2-difluoroethenyl)pyrrolidine?
The canonical SMILES for (3S)-3-(2,2-difluoroethenyl)pyrrolidine is FC(F)=C[C@@H]1CCNC1.
What is the InChIKey of (3S)-3-(2,2-difluoroethenyl)pyrrolidine?
The InChIKey is SRWFLZVCZDKYET-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H9F2N/c7-6(8)3-5-1-2-9-4-5/h3,5,9H,1-2,4H2/t5-/m0/s1.
What are the key properties of (3S)-3-(2,2-difluoroethenyl)pyrrolidine?
(3S)-3-(2,2-difluoroethenyl)pyrrolidine has a molecular weight of 133.14 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2,2-difluoroethenyl)pyrrolidine is sourced from PubChem (CID 141166322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).