(1S)-2-(1,1-difluoroethyl)cyclopropane-1-carbonitrile

C6H7F2N — CID 138553534

IUPAC(1S)-2-(1,1-difluoroethyl)cyclopropane-1-carbonitrile
SMILESCC(F)(F)C1C[C@@H]1C#N
InChIInChI=1S/C6H7F2N/c1-6(7,8)5-2-4(5)3-9/h4-5H,2H2,1H3/t4-,5?/m1/s1
InChIKeyHFVCJQPMWOHFOH-CNZKWPKMSA-N
MW131.12 g/mol
LogP1.80
Rot. Bonds1

About (1S)-2-(1,1-difluoroethyl)cyclopropane-1-carbonitrile

(1S)-2-(1,1-difluoroethyl)cyclopropane-1-carbonitrile (PubChem CID 138553534) has the molecular formula C6H7F2N and a molecular weight of 131.12 g/mol. Its IUPAC name is (1S)-2-(1,1-difluoroethyl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name(1S)-2-(1,1-difluoroethyl)cyclopropane-1-carbonitrile
PubChem CID138553534
Molecular FormulaC6H7F2N
Molecular Weight131.12 g/mol
Exact Mass131.05
IUPAC Name(1S)-2-(1,1-difluoroethyl)cyclopropane-1-carbonitrile
SMILESCC(F)(F)C1C[C@@H]1C#N
InChIInChI=1S/C6H7F2N/c1-6(7,8)5-2-4(5)3-9/h4-5H,2H2,1H3/t4-,5?/m1/s1
InChIKeyHFVCJQPMWOHFOH-CNZKWPKMSA-N
XLogP1.80
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.12
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-(1,1-difluoroethyl)cyclopropane-1-carbonitrile?
The IUPAC name of (1S)-2-(1,1-difluoroethyl)cyclopropane-1-carbonitrile (CID 138553534) is (1S)-2-(1,1-difluoroethyl)cyclopropane-1-carbonitrile.
What is the SMILES notation for (1S)-2-(1,1-difluoroethyl)cyclopropane-1-carbonitrile?
The canonical SMILES for (1S)-2-(1,1-difluoroethyl)cyclopropane-1-carbonitrile is CC(F)(F)C1C[C@@H]1C#N.
What is the InChIKey of (1S)-2-(1,1-difluoroethyl)cyclopropane-1-carbonitrile?
The InChIKey is HFVCJQPMWOHFOH-CNZKWPKMSA-N. The full InChI is InChI=1S/C6H7F2N/c1-6(7,8)5-2-4(5)3-9/h4-5H,2H2,1H3/t4-,5?/m1/s1.
What are the key properties of (1S)-2-(1,1-difluoroethyl)cyclopropane-1-carbonitrile?
(1S)-2-(1,1-difluoroethyl)cyclopropane-1-carbonitrile has a molecular weight of 131.12 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-(1,1-difluoroethyl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 138553534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).