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

C13H16ClF2NO2 — CID 83087367

IUPAC1-(2-chloro-4,6-difluoroanilino)-3-(cyclopropylmethoxy)propan-2-ol
SMILESOC(CNc1c(F)cc(F)cc1Cl)COCC1CC1
InChIInChI=1S/C13H16ClF2NO2/c14-11-3-9(15)4-12(16)13(11)17-5-10(18)7-19-6-8-1-2-8/h3-4,8,10,17-18H,1-2,5-7H2
InChIKeyJIBJVHSIAHPMRJ-UHFFFAOYSA-N
MW291.72 g/mol
LogP2.82
Rot. Bonds7

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

1-(2-chloro-4,6-difluoroanilino)-3-(cyclopropylmethoxy)propan-2-ol (PubChem CID 83087367) has the molecular formula C13H16ClF2NO2 and a molecular weight of 291.72 g/mol. Its IUPAC name is 1-(2-chloro-4,6-difluoroanilino)-3-(cyclopropylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2-chloro-4,6-difluoroanilino)-3-(cyclopropylmethoxy)propan-2-ol
PubChem CID83087367
Molecular FormulaC13H16ClF2NO2
Molecular Weight291.72 g/mol
Exact Mass291.08
IUPAC Name1-(2-chloro-4,6-difluoroanilino)-3-(cyclopropylmethoxy)propan-2-ol
SMILESOC(CNc1c(F)cc(F)cc1Cl)COCC1CC1
InChIInChI=1S/C13H16ClF2NO2/c14-11-3-9(15)4-12(16)13(11)17-5-10(18)7-19-6-8-1-2-8/h3-4,8,10,17-18H,1-2,5-7H2
InChIKeyJIBJVHSIAHPMRJ-UHFFFAOYSA-N
XLogP2.82
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.72
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chloro-4-fluoroanilino)-3-(cyclopropylmethoxy)propan-2-ol
CID 60899295
1-(2-chloro-4,6-difluoroanilino)-3-cyclohexyloxypropan-2-ol
CID 83073637
1-(cyclopropylmethoxy)-3-(3,4,5-trifluoroanilino)propan-2-ol
CID 62810281
1-(5-bromo-2,4-difluoroanilino)-3-(cyclopropylmethoxy)propan-2-ol
CID 102853501
1-(5-chloro-2-methylanilino)-3-(cyclopropylmethoxy)propan-2-ol
CID 60904125
1-(2,6-dichloro-4-fluoroanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 83077931
1-(cyclopropylmethoxy)-3-[4-fluoro-3-(trifluoromethyl)anilino]propan-2-ol
CID 61228034
1-(5-chloro-2-methoxyanilino)-3-(cyclopropylmethoxy)propan-2-ol
CID 60898114
1-(cyclopropylmethoxy)-3-(3,5-dimethylanilino)propan-2-ol
CID 60901833
(2R)-1-[(2-amino-6-chloropyrimidin-4-yl)amino]-3-(cyclopropylmethoxy)propan-2-ol
CID 52538522
1-[(2-amino-6-chloropyrimidin-4-yl)amino]-3-(cyclopropylmethoxy)propan-2-ol
CID 47089938
1-(2-bromo-6-chloro-4-fluoroanilino)-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 107611301

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4,6-difluoroanilino)-3-(cyclopropylmethoxy)propan-2-ol?
The IUPAC name of 1-(2-chloro-4,6-difluoroanilino)-3-(cyclopropylmethoxy)propan-2-ol (CID 83087367) is 1-(2-chloro-4,6-difluoroanilino)-3-(cyclopropylmethoxy)propan-2-ol.
What is the SMILES notation for 1-(2-chloro-4,6-difluoroanilino)-3-(cyclopropylmethoxy)propan-2-ol?
The canonical SMILES for 1-(2-chloro-4,6-difluoroanilino)-3-(cyclopropylmethoxy)propan-2-ol is OC(CNc1c(F)cc(F)cc1Cl)COCC1CC1.
What is the InChIKey of 1-(2-chloro-4,6-difluoroanilino)-3-(cyclopropylmethoxy)propan-2-ol?
The InChIKey is JIBJVHSIAHPMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF2NO2/c14-11-3-9(15)4-12(16)13(11)17-5-10(18)7-19-6-8-1-2-8/h3-4,8,10,17-18H,1-2,5-7H2.
What are the key properties of 1-(2-chloro-4,6-difluoroanilino)-3-(cyclopropylmethoxy)propan-2-ol?
1-(2-chloro-4,6-difluoroanilino)-3-(cyclopropylmethoxy)propan-2-ol has a molecular weight of 291.72 g/mol, XLogP of 2.82, 7 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-(cyclopropylmethoxy)propan-2-ol is sourced from PubChem (CID 83087367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).