1-(5-chloro-3-fluoro-2,4-dihydroxyphenyl)cyclopropane-1-carbonitrile

C10H7ClFNO2 — CID 84791665

IUPAC1-(5-chloro-3-fluoro-2,4-dihydroxyphenyl)cyclopropane-1-carbonitrile
SMILESN#CC1(c2cc(Cl)c(O)c(F)c2O)CC1
InChIInChI=1S/C10H7ClFNO2/c11-6-3-5(10(4-13)1-2-10)8(14)7(12)9(6)15/h3,14-15H,1-2H2
InChIKeyHPEZRUCEMFCXHN-UHFFFAOYSA-N
MW227.62 g/mol
LogP2.45
Rot. Bonds1

About 1-(5-chloro-3-fluoro-2,4-dihydroxyphenyl)cyclopropane-1-carbonitrile

1-(5-chloro-3-fluoro-2,4-dihydroxyphenyl)cyclopropane-1-carbonitrile (PubChem CID 84791665) has the molecular formula C10H7ClFNO2 and a molecular weight of 227.62 g/mol. Its IUPAC name is 1-(5-chloro-3-fluoro-2,4-dihydroxyphenyl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(5-chloro-3-fluoro-2,4-dihydroxyphenyl)cyclopropane-1-carbonitrile
PubChem CID84791665
Molecular FormulaC10H7ClFNO2
Molecular Weight227.62 g/mol
Exact Mass227.01
IUPAC Name1-(5-chloro-3-fluoro-2,4-dihydroxyphenyl)cyclopropane-1-carbonitrile
SMILESN#CC1(c2cc(Cl)c(O)c(F)c2O)CC1
InChIInChI=1S/C10H7ClFNO2/c11-6-3-5(10(4-13)1-2-10)8(14)7(12)9(6)15/h3,14-15H,1-2H2
InChIKeyHPEZRUCEMFCXHN-UHFFFAOYSA-N
XLogP2.45
TPSA64.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.62
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-4-fluoro-2-hydroxyphenyl)cyclopropane-1-carbonitrile
CID 84781942
1-(5-chloro-2-fluoro-6-hydroxy-3-methylphenyl)cyclopropane-1-carbonitrile
CID 84790485
1-(3,5-difluoro-2-hydroxy-4-methoxyphenyl)cyclopropane-1-carbonitrile
CID 84789933
1-(3-chloro-2,4-dihydroxy-5-methylphenyl)cyclopropane-1-carbonitrile
CID 84789379
1-(4-fluoro-2-hydroxyphenyl)cyclopropane-1-carbonitrile
CID 84767283
1-(4-bromo-3-chloro-2-hydroxyphenyl)cyclopropane-1-carbonitrile
CID 84809868
1-(3-chloro-4-fluorophenyl)cyclopropane-1-carbonitrile
CID 67179206
1-(2,3-dihydroxyphenyl)cyclopropane-1-carbonitrile
CID 131587924
6-chloro-2-fluoro-4-(1-hydroxycyclopropyl)-3-methoxyphenol
CID 84795724
1-(5-bromo-4-chloro-2-fluorophenyl)cyclobutane-1-carbonitrile
CID 84814477
1-(4,5-difluoro-2-methylphenyl)cyclopropane-1-carbonitrile
CID 84772596
1-(3,5-difluoro-4-hydroxy-2-methoxyphenyl)cyclobutane-1-carbonitrile
CID 84799468

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-3-fluoro-2,4-dihydroxyphenyl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-(5-chloro-3-fluoro-2,4-dihydroxyphenyl)cyclopropane-1-carbonitrile (CID 84791665) is 1-(5-chloro-3-fluoro-2,4-dihydroxyphenyl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(5-chloro-3-fluoro-2,4-dihydroxyphenyl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-(5-chloro-3-fluoro-2,4-dihydroxyphenyl)cyclopropane-1-carbonitrile is N#CC1(c2cc(Cl)c(O)c(F)c2O)CC1.
What is the InChIKey of 1-(5-chloro-3-fluoro-2,4-dihydroxyphenyl)cyclopropane-1-carbonitrile?
The InChIKey is HPEZRUCEMFCXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFNO2/c11-6-3-5(10(4-13)1-2-10)8(14)7(12)9(6)15/h3,14-15H,1-2H2.
What are the key properties of 1-(5-chloro-3-fluoro-2,4-dihydroxyphenyl)cyclopropane-1-carbonitrile?
1-(5-chloro-3-fluoro-2,4-dihydroxyphenyl)cyclopropane-1-carbonitrile has a molecular weight of 227.62 g/mol, XLogP of 2.45, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-3-fluoro-2,4-dihydroxyphenyl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 84791665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).