1-[(2-chloro-6-fluorophenyl)methyl]cyclopentane-1-carbonitrile

C13H13ClFN — CID 65377639

IUPAC1-[(2-chloro-6-fluorophenyl)methyl]cyclopentane-1-carbonitrile
SMILESN#CC1(Cc2c(F)cccc2Cl)CCCC1
InChIInChI=1S/C13H13ClFN/c14-11-4-3-5-12(15)10(11)8-13(9-16)6-1-2-7-13/h3-5H,1-2,6-8H2
InChIKeyLEHFSEYXRYEXIQ-UHFFFAOYSA-N
MW237.70 g/mol
LogP4.11
Rot. Bonds2

About 1-[(2-chloro-6-fluorophenyl)methyl]cyclopentane-1-carbonitrile

1-[(2-chloro-6-fluorophenyl)methyl]cyclopentane-1-carbonitrile (PubChem CID 65377639) has the molecular formula C13H13ClFN and a molecular weight of 237.70 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorophenyl)methyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-[(2-chloro-6-fluorophenyl)methyl]cyclopentane-1-carbonitrile
PubChem CID65377639
Molecular FormulaC13H13ClFN
Molecular Weight237.70 g/mol
Exact Mass237.07
IUPAC Name1-[(2-chloro-6-fluorophenyl)methyl]cyclopentane-1-carbonitrile
SMILESN#CC1(Cc2c(F)cccc2Cl)CCCC1
InChIInChI=1S/C13H13ClFN/c14-11-4-3-5-12(15)10(11)8-13(9-16)6-1-2-7-13/h3-5H,1-2,6-8H2
InChIKeyLEHFSEYXRYEXIQ-UHFFFAOYSA-N
XLogP4.11
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.70
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2,3-difluorophenyl)methyl]cycloheptane-1-carbonitrile
CID 65390903
1-[(2-chloro-6-nitrophenyl)methyl]cycloheptane-1-carbonitrile
CID 65390504
[1-[(2-chloro-6-fluorophenyl)methyl]cyclopentyl]methanol
CID 66026117
1-[(4-chloro-3-fluorophenyl)methyl]cycloheptane-1-carbonitrile
CID 107898503
1-[(4-chlorophenyl)methyl]cyclohexane-1-carbonitrile
CID 65377832
[1-[(2-chloro-6-fluorophenyl)methyl]cyclobutyl]methanol
CID 66024328
1-[(3-fluorophenyl)methyl]cyclohexane-1-carbonitrile
CID 65379302
1-[(2,4-difluorophenyl)methyl]cyclopentane-1-carbonitrile
CID 65376601
2-[(2-chloro-6-fluorophenyl)methyl]-2-methylazepane
CID 79118175
1-[(4-iodophenyl)methyl]cyclopentane-1-carbonitrile
CID 65490985
4-[(2-chloro-6-fluorophenyl)methyl]-4-fluoroazepane
CID 103983949
1-[(2-chloro-6-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 67421202

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]cyclopentane-1-carbonitrile (CID 65377639) is 1-[(2-chloro-6-fluorophenyl)methyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)methyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methyl]cyclopentane-1-carbonitrile is N#CC1(Cc2c(F)cccc2Cl)CCCC1.
What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)methyl]cyclopentane-1-carbonitrile?
The InChIKey is LEHFSEYXRYEXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN/c14-11-4-3-5-12(15)10(11)8-13(9-16)6-1-2-7-13/h3-5H,1-2,6-8H2.
What are the key properties of 1-[(2-chloro-6-fluorophenyl)methyl]cyclopentane-1-carbonitrile?
1-[(2-chloro-6-fluorophenyl)methyl]cyclopentane-1-carbonitrile has a molecular weight of 237.70 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-fluorophenyl)methyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 65377639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).