1-(5-chloro-4-fluoro-2-hydroxyphenyl)cyclopropane-1-carbonitrile

C10H7ClFNO — CID 84781942

IUPAC1-(5-chloro-4-fluoro-2-hydroxyphenyl)cyclopropane-1-carbonitrile
SMILESN#CC1(c2cc(Cl)c(F)cc2O)CC1
InChIInChI=1S/C10H7ClFNO/c11-7-3-6(9(14)4-8(7)12)10(5-13)1-2-10/h3-4,14H,1-2H2
InChIKeyWUOHDZQXNODDBT-UHFFFAOYSA-N
MW211.62 g/mol
LogP2.74
Rot. Bonds1

About 1-(5-chloro-4-fluoro-2-hydroxyphenyl)cyclopropane-1-carbonitrile

1-(5-chloro-4-fluoro-2-hydroxyphenyl)cyclopropane-1-carbonitrile (PubChem CID 84781942) has the molecular formula C10H7ClFNO and a molecular weight of 211.62 g/mol. Its IUPAC name is 1-(5-chloro-4-fluoro-2-hydroxyphenyl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(5-chloro-4-fluoro-2-hydroxyphenyl)cyclopropane-1-carbonitrile
PubChem CID84781942
Molecular FormulaC10H7ClFNO
Molecular Weight211.62 g/mol
Exact Mass211.02
IUPAC Name1-(5-chloro-4-fluoro-2-hydroxyphenyl)cyclopropane-1-carbonitrile
SMILESN#CC1(c2cc(Cl)c(F)cc2O)CC1
InChIInChI=1S/C10H7ClFNO/c11-7-3-6(9(14)4-8(7)12)10(5-13)1-2-10/h3-4,14H,1-2H2
InChIKeyWUOHDZQXNODDBT-UHFFFAOYSA-N
XLogP2.74
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.62
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-3-fluoro-2,4-dihydroxyphenyl)cyclopropane-1-carbonitrile
CID 84791665
2-(1-aminocyclopropyl)-4-chloro-5-fluorophenol
CID 84776496
1-(4-fluoro-2-hydroxyphenyl)cyclopropane-1-carbonitrile
CID 84767283
1-(3-chloro-4-fluorophenyl)cyclopropane-1-carbonitrile
CID 67179206
1-(5-chloro-2-fluoro-6-hydroxy-3-methylphenyl)cyclopropane-1-carbonitrile
CID 84790485
1-(5-bromo-4-chloro-2-fluorophenyl)cyclobutane-1-carbonitrile
CID 84814477
1-(4,5-difluoro-2-methylphenyl)cyclopropane-1-carbonitrile
CID 84772596
1-(3-chloro-2,4-dihydroxy-5-methylphenyl)cyclopropane-1-carbonitrile
CID 84789379
1-(4-bromo-2-fluorophenyl)cyclopropane-1-carbonitrile
CID 58762329
1-(3,5-difluoro-2-hydroxy-4-methoxyphenyl)cyclopropane-1-carbonitrile
CID 84789933
1-(2,3-dihydroxyphenyl)cyclopropane-1-carbonitrile
CID 131587924
4-(4-chloro-2-fluorophenyl)piperidine-4-carbonitrile;hydrochloride
CID 67531755

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-4-fluoro-2-hydroxyphenyl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-(5-chloro-4-fluoro-2-hydroxyphenyl)cyclopropane-1-carbonitrile (CID 84781942) is 1-(5-chloro-4-fluoro-2-hydroxyphenyl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(5-chloro-4-fluoro-2-hydroxyphenyl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-(5-chloro-4-fluoro-2-hydroxyphenyl)cyclopropane-1-carbonitrile is N#CC1(c2cc(Cl)c(F)cc2O)CC1.
What is the InChIKey of 1-(5-chloro-4-fluoro-2-hydroxyphenyl)cyclopropane-1-carbonitrile?
The InChIKey is WUOHDZQXNODDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFNO/c11-7-3-6(9(14)4-8(7)12)10(5-13)1-2-10/h3-4,14H,1-2H2.
What are the key properties of 1-(5-chloro-4-fluoro-2-hydroxyphenyl)cyclopropane-1-carbonitrile?
1-(5-chloro-4-fluoro-2-hydroxyphenyl)cyclopropane-1-carbonitrile has a molecular weight of 211.62 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-4-fluoro-2-hydroxyphenyl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 84781942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).