1-(2-chloro-4,6-difluoroanilino)-3-cyclohexyloxypropan-2-ol

C15H20ClF2NO2 — CID 83073637

IUPAC1-(2-chloro-4,6-difluoroanilino)-3-cyclohexyloxypropan-2-ol
SMILESOC(CNc1c(F)cc(F)cc1Cl)COC1CCCCC1
InChIInChI=1S/C15H20ClF2NO2/c16-13-6-10(17)7-14(18)15(13)19-8-11(20)9-21-12-4-2-1-3-5-12/h6-7,11-12,19-20H,1-5,8-9H2
InChIKeyFZGPHJKTOHQIAV-UHFFFAOYSA-N
MW319.78 g/mol
LogP3.74
Rot. Bonds6

About 1-(2-chloro-4,6-difluoroanilino)-3-cyclohexyloxypropan-2-ol

1-(2-chloro-4,6-difluoroanilino)-3-cyclohexyloxypropan-2-ol (PubChem CID 83073637) has the molecular formula C15H20ClF2NO2 and a molecular weight of 319.78 g/mol. Its IUPAC name is 1-(2-chloro-4,6-difluoroanilino)-3-cyclohexyloxypropan-2-ol.

Molecular Properties

Compound Name1-(2-chloro-4,6-difluoroanilino)-3-cyclohexyloxypropan-2-ol
PubChem CID83073637
Molecular FormulaC15H20ClF2NO2
Molecular Weight319.78 g/mol
Exact Mass319.12
IUPAC Name1-(2-chloro-4,6-difluoroanilino)-3-cyclohexyloxypropan-2-ol
SMILESOC(CNc1c(F)cc(F)cc1Cl)COC1CCCCC1
InChIInChI=1S/C15H20ClF2NO2/c16-13-6-10(17)7-14(18)15(13)19-8-11(20)9-21-12-4-2-1-3-5-12/h6-7,11-12,19-20H,1-5,8-9H2
InChIKeyFZGPHJKTOHQIAV-UHFFFAOYSA-N
XLogP3.74
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.78
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-4,6-difluoroanilino)-3-(cyclopropylmethoxy)propan-2-ol
CID 83087367
1-(4-chloro-3-fluoroanilino)-3-cyclohexyloxypropan-2-ol
CID 61466824
1-(2-chloro-6-methylanilino)-3-cyclohexyloxypropan-2-ol
CID 66251349
1-[(3-chloro-4-fluorophenyl)methylamino]-3-cyclohexyloxypropan-2-ol
CID 62538630
1-cyclopentyloxy-3-(2,4,6-tribromoanilino)propan-2-ol
CID 63488175
1-cyclopentyloxy-3-(3-fluoroanilino)propan-2-ol
CID 60897752
1-cyclopentyloxy-3-(2,3,4-trifluoroanilino)propan-2-ol
CID 60898837
1-(2-chloro-5-methylanilino)-3-cyclopentyloxypropan-2-ol
CID 107634536
1-(5-bromo-2-chloroanilino)-3-cyclopentyloxypropan-2-ol
CID 62913594
1-(2,6-dichloro-4-fluoroanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 83077931
1-cyclohexyloxy-3-(3-iodoanilino)propan-2-ol
CID 60899841
1-(3-chloro-4-fluoroanilino)-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 83095950

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4,6-difluoroanilino)-3-cyclohexyloxypropan-2-ol?
The IUPAC name of 1-(2-chloro-4,6-difluoroanilino)-3-cyclohexyloxypropan-2-ol (CID 83073637) is 1-(2-chloro-4,6-difluoroanilino)-3-cyclohexyloxypropan-2-ol.
What is the SMILES notation for 1-(2-chloro-4,6-difluoroanilino)-3-cyclohexyloxypropan-2-ol?
The canonical SMILES for 1-(2-chloro-4,6-difluoroanilino)-3-cyclohexyloxypropan-2-ol is OC(CNc1c(F)cc(F)cc1Cl)COC1CCCCC1.
What is the InChIKey of 1-(2-chloro-4,6-difluoroanilino)-3-cyclohexyloxypropan-2-ol?
The InChIKey is FZGPHJKTOHQIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClF2NO2/c16-13-6-10(17)7-14(18)15(13)19-8-11(20)9-21-12-4-2-1-3-5-12/h6-7,11-12,19-20H,1-5,8-9H2.
What are the key properties of 1-(2-chloro-4,6-difluoroanilino)-3-cyclohexyloxypropan-2-ol?
1-(2-chloro-4,6-difluoroanilino)-3-cyclohexyloxypropan-2-ol has a molecular weight of 319.78 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4,6-difluoroanilino)-3-cyclohexyloxypropan-2-ol is sourced from PubChem (CID 83073637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).