3,3-difluoropyrrolidine

C4H7F2N — CID 2782827

IUPAC3,3-difluoropyrrolidine
SMILESFC1(F)CCNC1
InChIInChI=1S/C4H7F2N/c5-4(6)1-2-7-3-4/h7H,1-3H2
InChIKeyKVTUSMPNLUCCQO-UHFFFAOYSA-N
MW107.10 g/mol
LogP0.62
Rot. Bonds

About 3,3-difluoropyrrolidine

3,3-difluoropyrrolidine (PubChem CID 2782827) has the molecular formula C4H7F2N and a molecular weight of 107.10 g/mol. Its IUPAC name is 3,3-difluoropyrrolidine.

Molecular Properties

Compound Name3,3-difluoropyrrolidine
PubChem CID2782827
Molecular FormulaC4H7F2N
Molecular Weight107.10 g/mol
Exact Mass107.05
IUPAC Name3,3-difluoropyrrolidine
SMILESFC1(F)CCNC1
InChIInChI=1S/C4H7F2N/c5-4(6)1-2-7-3-4/h7H,1-3H2
InChIKeyKVTUSMPNLUCCQO-UHFFFAOYSA-N
XLogP0.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.10
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoropyrrolidine?
The IUPAC name of 3,3-difluoropyrrolidine (CID 2782827) is 3,3-difluoropyrrolidine.
What is the SMILES notation for 3,3-difluoropyrrolidine?
The canonical SMILES for 3,3-difluoropyrrolidine is FC1(F)CCNC1.
What is the InChIKey of 3,3-difluoropyrrolidine?
The InChIKey is KVTUSMPNLUCCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F2N/c5-4(6)1-2-7-3-4/h7H,1-3H2.
What are the key properties of 3,3-difluoropyrrolidine?
3,3-difluoropyrrolidine has a molecular weight of 107.10 g/mol, XLogP of 0.62, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoropyrrolidine is sourced from PubChem (CID 2782827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).