3-(difluoromethylidene)pyrrolidine

C5H7F2N — CID 162535187

IUPAC3-(difluoromethylidene)pyrrolidine
SMILESFC(F)=C1CCNC1
InChIInChI=1S/C5H7F2N/c6-5(7)4-1-2-8-3-4/h8H,1-3H2
InChIKeyKCDCBIKKPYNMFT-UHFFFAOYSA-N
MW119.11 g/mol
LogP1.13
Rot. Bonds

About 3-(difluoromethylidene)pyrrolidine

3-(difluoromethylidene)pyrrolidine (PubChem CID 162535187) has the molecular formula C5H7F2N and a molecular weight of 119.11 g/mol. Its IUPAC name is 3-(difluoromethylidene)pyrrolidine.

Molecular Properties

Compound Name3-(difluoromethylidene)pyrrolidine
PubChem CID162535187
Molecular FormulaC5H7F2N
Molecular Weight119.11 g/mol
Exact Mass119.05
IUPAC Name3-(difluoromethylidene)pyrrolidine
SMILESFC(F)=C1CCNC1
InChIInChI=1S/C5H7F2N/c6-5(7)4-1-2-8-3-4/h8H,1-3H2
InChIKeyKCDCBIKKPYNMFT-UHFFFAOYSA-N
XLogP1.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.11
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(Difluoromethylidene)pyrrolidine hydrochloride
CID 165951323
3-Fluoro-4-methylidenepyrrolidine
CID 123961396
(3E)-3-(fluoromethylidene)pyrrolidine
CID 126638464
(3R)-3-fluoro-4-methylidenepyrrolidine
CID 130322624
(3Z)-3-(1,1,1-trifluoropropan-2-ylidene)pyrrolidine
CID 155160727
(3E)-3-(1,1,1-trifluoropropan-2-ylidene)pyrrolidine
CID 155160809
3-(1,1,1,3,3,3-Hexafluoropropan-2-ylidene)pyrrolidine
CID 155262754
(3E)-3-(1,1,1-trifluoropropan-2-ylidene)pyrrolidine;hydrochloride
CID 167395794
(3Z)-3-(1,1,1-trifluoropropan-2-ylidene)pyrrolidine;hydrochloride
CID 167395813
3-(Fluoromethylene)pyrrolidine
CID 170624394
3-(Fluoromethylidene)pyrrolidine
CID 175538467
3,3-Difluoro-4-methylidenepyrrolidine hydrochloride
CID 165999729

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethylidene)pyrrolidine?
The IUPAC name of 3-(difluoromethylidene)pyrrolidine (CID 162535187) is 3-(difluoromethylidene)pyrrolidine.
What is the SMILES notation for 3-(difluoromethylidene)pyrrolidine?
The canonical SMILES for 3-(difluoromethylidene)pyrrolidine is FC(F)=C1CCNC1.
What is the InChIKey of 3-(difluoromethylidene)pyrrolidine?
The InChIKey is KCDCBIKKPYNMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2N/c6-5(7)4-1-2-8-3-4/h8H,1-3H2.
What are the key properties of 3-(difluoromethylidene)pyrrolidine?
3-(difluoromethylidene)pyrrolidine has a molecular weight of 119.11 g/mol, XLogP of 1.13, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethylidene)pyrrolidine is sourced from PubChem (CID 162535187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).