1-(2,4-difluorophenyl)cycloheptane-1-carbonitrile

C14H15F2N — CID 64560794

IUPAC1-(2,4-difluorophenyl)cycloheptane-1-carbonitrile
SMILESN#CC1(c2ccc(F)cc2F)CCCCCC1
InChIInChI=1S/C14H15F2N/c15-11-5-6-12(13(16)9-11)14(10-17)7-3-1-2-4-8-14/h5-6,9H,1-4,7-8H2
InChIKeyWGAMKMGOIZOFAP-UHFFFAOYSA-N
MW235.28 g/mol
LogP4.08
Rot. Bonds1

About 1-(2,4-difluorophenyl)cycloheptane-1-carbonitrile

1-(2,4-difluorophenyl)cycloheptane-1-carbonitrile (PubChem CID 64560794) has the molecular formula C14H15F2N and a molecular weight of 235.28 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)cycloheptane-1-carbonitrile.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)cycloheptane-1-carbonitrile
PubChem CID64560794
Molecular FormulaC14H15F2N
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name1-(2,4-difluorophenyl)cycloheptane-1-carbonitrile
SMILESN#CC1(c2ccc(F)cc2F)CCCCCC1
InChIInChI=1S/C14H15F2N/c15-11-5-6-12(13(16)9-11)14(10-17)7-3-1-2-4-8-14/h5-6,9H,1-4,7-8H2
InChIKeyWGAMKMGOIZOFAP-UHFFFAOYSA-N
XLogP4.08
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluoro-2-hydroxyphenyl)cyclopropane-1-carbonitrile
CID 84767283
1-(2,4-difluorophenyl)cyclohexan-1-amine
CID 62802198
1-(5-bromo-2,4-difluorophenyl)cyclobutane-1-carbonitrile
CID 84809468
2-(2-chloro-4-fluorophenyl)spiro[3.6]decane-2-carbonitrile
CID 65007552
1-(4-bromo-2-fluorophenyl)cyclopropane-1-carbonitrile
CID 58762329
1-(2,3-difluorophenyl)cyclopentane-1-carbonitrile
CID 83412405
1-(2,4-difluorophenyl)-2,2-dimethylcyclopropane-1-carbonitrile
CID 116842312
1-(3,4-difluorophenyl)cyclohexane-1-carbonitrile
CID 66685213
1-[3-(2,4-difluorophenyl)oxetan-3-yl]cyclobutane-1-carbonitrile
CID 116874895
1-[(2,4-difluorophenyl)-hydroxymethyl]cyclooctane-1-carbonitrile
CID 80603513
1-(2-fluoro-4-formylphenyl)cyclopropane-1-carbonitrile
CID 177016890
1-[(2,4-difluorophenyl)methyl]cyclopentane-1-carbonitrile
CID 65376601

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)cycloheptane-1-carbonitrile?
The IUPAC name of 1-(2,4-difluorophenyl)cycloheptane-1-carbonitrile (CID 64560794) is 1-(2,4-difluorophenyl)cycloheptane-1-carbonitrile.
What is the SMILES notation for 1-(2,4-difluorophenyl)cycloheptane-1-carbonitrile?
The canonical SMILES for 1-(2,4-difluorophenyl)cycloheptane-1-carbonitrile is N#CC1(c2ccc(F)cc2F)CCCCCC1.
What is the InChIKey of 1-(2,4-difluorophenyl)cycloheptane-1-carbonitrile?
The InChIKey is WGAMKMGOIZOFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N/c15-11-5-6-12(13(16)9-11)14(10-17)7-3-1-2-4-8-14/h5-6,9H,1-4,7-8H2.
What are the key properties of 1-(2,4-difluorophenyl)cycloheptane-1-carbonitrile?
1-(2,4-difluorophenyl)cycloheptane-1-carbonitrile has a molecular weight of 235.28 g/mol, XLogP of 4.08, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)cycloheptane-1-carbonitrile is sourced from PubChem (CID 64560794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).