3-(difluoromethyl)-3,4-difluoropyrrolidine

C5H7F4N — CID 84763786

IUPAC3-(difluoromethyl)-3,4-difluoropyrrolidine
SMILESFC(F)C1(F)CNCC1F
InChIInChI=1S/C5H7F4N/c6-3-1-10-2-5(3,9)4(7)8/h3-4,10H,1-2H2
InChIKeyKAQRONBEIYMBOI-UHFFFAOYSA-N
MW157.11 g/mol
LogP0.90
Rot. Bonds1

About 3-(difluoromethyl)-3,4-difluoropyrrolidine

3-(difluoromethyl)-3,4-difluoropyrrolidine (PubChem CID 84763786) has the molecular formula C5H7F4N and a molecular weight of 157.11 g/mol. Its IUPAC name is 3-(difluoromethyl)-3,4-difluoropyrrolidine.

Molecular Properties

Compound Name3-(difluoromethyl)-3,4-difluoropyrrolidine
PubChem CID84763786
Molecular FormulaC5H7F4N
Molecular Weight157.11 g/mol
Exact Mass157.05
IUPAC Name3-(difluoromethyl)-3,4-difluoropyrrolidine
SMILESFC(F)C1(F)CNCC1F
InChIInChI=1S/C5H7F4N/c6-3-1-10-2-5(3,9)4(7)8/h3-4,10H,1-2H2
InChIKeyKAQRONBEIYMBOI-UHFFFAOYSA-N
XLogP0.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.11
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(difluoromethyl)-3-azabicyclo[3.1.0]hexane
CID 75481813
(3R,4S,5R)-5-fluoro-5-[(1R)-1-fluoropropyl]piperidine-3,4-diol
CID 73437712
3,3,4,5-tetrafluoropiperidine
CID 91309126
(3S)-3,4,4-trifluoropiperidine
CID 124662369
(3S,4S)-3,4-difluoro-4-methylpiperidine
CID 125117149
(2R,6R)-2-(difluoromethyl)-2,6-dimethylmorpholine
CID 125424449
3a-fluoro-2,3,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;ethane;hydrofluoride
CID 177136763
(3R)-4,4-difluoropyrrolidin-3-amine;hydrochloride
CID 170923039
8-fluoro-6-azaspiro[2.5]octane
CID 84717106
3,3-difluoro-4-prop-1-en-2-ylpyrrolidine
CID 162620781
3a-fluoro-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
CID 138719512
3-(difluoromethyl)-3,4,4-trifluoropiperidine
CID 84770912

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-3,4-difluoropyrrolidine?
The IUPAC name of 3-(difluoromethyl)-3,4-difluoropyrrolidine (CID 84763786) is 3-(difluoromethyl)-3,4-difluoropyrrolidine.
What is the SMILES notation for 3-(difluoromethyl)-3,4-difluoropyrrolidine?
The canonical SMILES for 3-(difluoromethyl)-3,4-difluoropyrrolidine is FC(F)C1(F)CNCC1F.
What is the InChIKey of 3-(difluoromethyl)-3,4-difluoropyrrolidine?
The InChIKey is KAQRONBEIYMBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F4N/c6-3-1-10-2-5(3,9)4(7)8/h3-4,10H,1-2H2.
What are the key properties of 3-(difluoromethyl)-3,4-difluoropyrrolidine?
3-(difluoromethyl)-3,4-difluoropyrrolidine has a molecular weight of 157.11 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-3,4-difluoropyrrolidine is sourced from PubChem (CID 84763786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).