2,2-difluorocyclopropane-1-carbonitrile

C4H3F2N — CID 11672662

IUPAC2,2-difluorocyclopropane-1-carbonitrile
SMILESN#CC1CC1(F)F
InChIInChI=1S/C4H3F2N/c5-4(6)1-3(4)2-7/h3H,1H2
InChIKeyNIGIRDCZZWEMQK-UHFFFAOYSA-N
MW103.07 g/mol
LogP1.17
Rot. Bonds

About 2,2-difluorocyclopropane-1-carbonitrile

2,2-difluorocyclopropane-1-carbonitrile (PubChem CID 11672662) has the molecular formula C4H3F2N and a molecular weight of 103.07 g/mol. Its IUPAC name is 2,2-difluorocyclopropane-1-carbonitrile.

Molecular Properties

Compound Name2,2-difluorocyclopropane-1-carbonitrile
PubChem CID11672662
Molecular FormulaC4H3F2N
Molecular Weight103.07 g/mol
Exact Mass103.02
IUPAC Name2,2-difluorocyclopropane-1-carbonitrile
SMILESN#CC1CC1(F)F
InChIInChI=1S/C4H3F2N/c5-4(6)1-3(4)2-7/h3H,1H2
InChIKeyNIGIRDCZZWEMQK-UHFFFAOYSA-N
XLogP1.17
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.07
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluorocyclopropane-1-carbonitrile?
The IUPAC name of 2,2-difluorocyclopropane-1-carbonitrile (CID 11672662) is 2,2-difluorocyclopropane-1-carbonitrile.
What is the SMILES notation for 2,2-difluorocyclopropane-1-carbonitrile?
The canonical SMILES for 2,2-difluorocyclopropane-1-carbonitrile is N#CC1CC1(F)F.
What is the InChIKey of 2,2-difluorocyclopropane-1-carbonitrile?
The InChIKey is NIGIRDCZZWEMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F2N/c5-4(6)1-3(4)2-7/h3H,1H2.
What are the key properties of 2,2-difluorocyclopropane-1-carbonitrile?
2,2-difluorocyclopropane-1-carbonitrile has a molecular weight of 103.07 g/mol, XLogP of 1.17, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluorocyclopropane-1-carbonitrile is sourced from PubChem (CID 11672662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).