1-[(3,5-difluorophenyl)methyl]cyclopropane-1-carbonitrile

C11H9F2N — CID 121231102

IUPAC1-[(3,5-difluorophenyl)methyl]cyclopropane-1-carbonitrile
SMILESN#CC1(Cc2cc(F)cc(F)c2)CC1
InChIInChI=1S/C11H9F2N/c12-9-3-8(4-10(13)5-9)6-11(7-14)1-2-11/h3-5H,1-2,6H2
InChIKeyTZHFDYOCLIAYFP-UHFFFAOYSA-N
MW193.20 g/mol
LogP2.81
Rot. Bonds2

About 1-[(3,5-difluorophenyl)methyl]cyclopropane-1-carbonitrile

1-[(3,5-difluorophenyl)methyl]cyclopropane-1-carbonitrile (PubChem CID 121231102) has the molecular formula C11H9F2N and a molecular weight of 193.20 g/mol. Its IUPAC name is 1-[(3,5-difluorophenyl)methyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[(3,5-difluorophenyl)methyl]cyclopropane-1-carbonitrile
PubChem CID121231102
Molecular FormulaC11H9F2N
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name1-[(3,5-difluorophenyl)methyl]cyclopropane-1-carbonitrile
SMILESN#CC1(Cc2cc(F)cc(F)c2)CC1
InChIInChI=1S/C11H9F2N/c12-9-3-8(4-10(13)5-9)6-11(7-14)1-2-11/h3-5H,1-2,6H2
InChIKeyTZHFDYOCLIAYFP-UHFFFAOYSA-N
XLogP2.81
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-difluorophenyl)methyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[(3,5-difluorophenyl)methyl]cyclopropane-1-carbonitrile (CID 121231102) is 1-[(3,5-difluorophenyl)methyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[(3,5-difluorophenyl)methyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[(3,5-difluorophenyl)methyl]cyclopropane-1-carbonitrile is N#CC1(Cc2cc(F)cc(F)c2)CC1.
What is the InChIKey of 1-[(3,5-difluorophenyl)methyl]cyclopropane-1-carbonitrile?
The InChIKey is TZHFDYOCLIAYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N/c12-9-3-8(4-10(13)5-9)6-11(7-14)1-2-11/h3-5H,1-2,6H2.
What are the key properties of 1-[(3,5-difluorophenyl)methyl]cyclopropane-1-carbonitrile?
1-[(3,5-difluorophenyl)methyl]cyclopropane-1-carbonitrile has a molecular weight of 193.20 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-difluorophenyl)methyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 121231102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).