4-(3-chloro-2-fluoroanilino)cyclohexan-1-ol

C12H15ClFNO — CID 106593601

IUPAC4-(3-chloro-2-fluoroanilino)cyclohexan-1-ol
SMILESOC1CCC(Nc2cccc(Cl)c2F)CC1
InChIInChI=1S/C12H15ClFNO/c13-10-2-1-3-11(12(10)14)15-8-4-6-9(16)7-5-8/h1-3,8-9,15-16H,4-7H2
InChIKeyYFRGKINDLPJZRA-UHFFFAOYSA-N
MW243.71 g/mol
LogP3.19
Rot. Bonds2

About 4-(3-chloro-2-fluoroanilino)cyclohexan-1-ol

4-(3-chloro-2-fluoroanilino)cyclohexan-1-ol (PubChem CID 106593601) has the molecular formula C12H15ClFNO and a molecular weight of 243.71 g/mol. Its IUPAC name is 4-(3-chloro-2-fluoroanilino)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(3-chloro-2-fluoroanilino)cyclohexan-1-ol
PubChem CID106593601
Molecular FormulaC12H15ClFNO
Molecular Weight243.71 g/mol
Exact Mass243.08
IUPAC Name4-(3-chloro-2-fluoroanilino)cyclohexan-1-ol
SMILESOC1CCC(Nc2cccc(Cl)c2F)CC1
InChIInChI=1S/C12H15ClFNO/c13-10-2-1-3-11(12(10)14)15-8-4-6-9(16)7-5-8/h1-3,8-9,15-16H,4-7H2
InChIKeyYFRGKINDLPJZRA-UHFFFAOYSA-N
XLogP3.19
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-cyclohexyl-2-fluoroaniline
CID 28968819
N-(3-chloro-2-fluorophenyl)spiro[4.5]decan-8-amine
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3-chloro-2-fluoro-N-[4-(2-methylbutan-2-yl)cyclohexyl]aniline
CID 63422219
tert-butyl N-[4-(3-chloro-2-fluoroanilino)cyclohexyl]carbamate
CID 103715400
N-(3-chloro-2-fluorophenyl)-1,1-dioxothiolan-3-amine
CID 43123013
N-(3-chloro-2-fluorophenyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43772940
4-(3,5-dichloro-4-fluoroanilino)cyclohexan-1-ol
CID 107572751
N-(3-chloro-2-fluorophenyl)-1-pyridin-2-ylpiperidin-4-amine
CID 43772839
3-chloro-2-fluoro-N-[3-(2-methylphenyl)cyclobutyl]aniline
CID 43635005
3-chloro-2-fluoro-N-[3-(3-fluorophenyl)cyclobutyl]aniline
CID 43634997
4-N-(2-chlorophenyl)-1-N-methylcyclohexane-1,4-diamine
CID 117027455
3-chloro-N-(2,3-dimethylcyclohexyl)-2-fluoroaniline
CID 64774574

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-fluoroanilino)cyclohexan-1-ol?
The IUPAC name of 4-(3-chloro-2-fluoroanilino)cyclohexan-1-ol (CID 106593601) is 4-(3-chloro-2-fluoroanilino)cyclohexan-1-ol.
What is the SMILES notation for 4-(3-chloro-2-fluoroanilino)cyclohexan-1-ol?
The canonical SMILES for 4-(3-chloro-2-fluoroanilino)cyclohexan-1-ol is OC1CCC(Nc2cccc(Cl)c2F)CC1.
What is the InChIKey of 4-(3-chloro-2-fluoroanilino)cyclohexan-1-ol?
The InChIKey is YFRGKINDLPJZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO/c13-10-2-1-3-11(12(10)14)15-8-4-6-9(16)7-5-8/h1-3,8-9,15-16H,4-7H2.
What are the key properties of 4-(3-chloro-2-fluoroanilino)cyclohexan-1-ol?
4-(3-chloro-2-fluoroanilino)cyclohexan-1-ol has a molecular weight of 243.71 g/mol, XLogP of 3.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-fluoroanilino)cyclohexan-1-ol is sourced from PubChem (CID 106593601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).