2,2-bis(4-fluorophenyl)cyclopropane-1-carbonitrile

C16H11F2N — CID 13201264

IUPAC2,2-bis(4-fluorophenyl)cyclopropane-1-carbonitrile
SMILESN#CC1CC1(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H11F2N/c17-14-5-1-11(2-6-14)16(9-13(16)10-19)12-3-7-15(18)8-4-12/h1-8,13H,9H2
InChIKeyHIQYKJKOUOTKGW-UHFFFAOYSA-N
MW255.27 g/mol
LogP3.79
Rot. Bonds2

About 2,2-bis(4-fluorophenyl)cyclopropane-1-carbonitrile

2,2-bis(4-fluorophenyl)cyclopropane-1-carbonitrile (PubChem CID 13201264) has the molecular formula C16H11F2N and a molecular weight of 255.27 g/mol. Its IUPAC name is 2,2-bis(4-fluorophenyl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name2,2-bis(4-fluorophenyl)cyclopropane-1-carbonitrile
PubChem CID13201264
Molecular FormulaC16H11F2N
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name2,2-bis(4-fluorophenyl)cyclopropane-1-carbonitrile
SMILESN#CC1CC1(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H11F2N/c17-14-5-1-11(2-6-14)16(9-13(16)10-19)12-3-7-15(18)8-4-12/h1-8,13H,9H2
InChIKeyHIQYKJKOUOTKGW-UHFFFAOYSA-N
XLogP3.79
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis(4-fluorophenyl)cyclopropane-1-carbonitrile?
The IUPAC name of 2,2-bis(4-fluorophenyl)cyclopropane-1-carbonitrile (CID 13201264) is 2,2-bis(4-fluorophenyl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 2,2-bis(4-fluorophenyl)cyclopropane-1-carbonitrile?
The canonical SMILES for 2,2-bis(4-fluorophenyl)cyclopropane-1-carbonitrile is N#CC1CC1(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 2,2-bis(4-fluorophenyl)cyclopropane-1-carbonitrile?
The InChIKey is HIQYKJKOUOTKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N/c17-14-5-1-11(2-6-14)16(9-13(16)10-19)12-3-7-15(18)8-4-12/h1-8,13H,9H2.
What are the key properties of 2,2-bis(4-fluorophenyl)cyclopropane-1-carbonitrile?
2,2-bis(4-fluorophenyl)cyclopropane-1-carbonitrile has a molecular weight of 255.27 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(4-fluorophenyl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 13201264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).