3-(4-chloro-2-methylanilino)-1,1,1-trifluoropropan-2-ol

C10H11ClF3NO — CID 126846999

IUPAC3-(4-chloro-2-methylanilino)-1,1,1-trifluoropropan-2-ol
SMILESCc1cc(Cl)ccc1NCC(O)C(F)(F)F
InChIInChI=1S/C10H11ClF3NO/c1-6-4-7(11)2-3-8(6)15-5-9(16)10(12,13)14/h2-4,9,15-16H,5H2,1H3
InChIKeyVOPNJMPSDVRJHQ-UHFFFAOYSA-N
MW253.65 g/mol
LogP2.98
Rot. Bonds3

About 3-(4-chloro-2-methylanilino)-1,1,1-trifluoropropan-2-ol

3-(4-chloro-2-methylanilino)-1,1,1-trifluoropropan-2-ol (PubChem CID 126846999) has the molecular formula C10H11ClF3NO and a molecular weight of 253.65 g/mol. Its IUPAC name is 3-(4-chloro-2-methylanilino)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-(4-chloro-2-methylanilino)-1,1,1-trifluoropropan-2-ol
PubChem CID126846999
Molecular FormulaC10H11ClF3NO
Molecular Weight253.65 g/mol
Exact Mass253.05
IUPAC Name3-(4-chloro-2-methylanilino)-1,1,1-trifluoropropan-2-ol
SMILESCc1cc(Cl)ccc1NCC(O)C(F)(F)F
InChIInChI=1S/C10H11ClF3NO/c1-6-4-7(11)2-3-8(6)15-5-9(16)10(12,13)14/h2-4,9,15-16H,5H2,1H3
InChIKeyVOPNJMPSDVRJHQ-UHFFFAOYSA-N
XLogP2.98
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.65
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chloro-2-fluoroanilino)-1,1,1-trifluoropropan-2-ol
CID 63901070
4-chloro-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]phenol
CID 126847001
1,1,1-trifluoro-3-(2-methyl-4-nitroanilino)propan-2-ol
CID 103720904
4-chloro-2-methyl-N-(2-methylbutyl)aniline
CID 43093539
1-(4-chloro-2-methylanilino)-3-(diethylamino)propan-2-ol
CID 114255834
3-(4-amino-2-bromo-5-methylanilino)-1,1,1-trifluoropropan-2-ol
CID 114092974
4-chloro-N-(3-methoxy-2-methylpropyl)-2-methylaniline
CID 116500771
N'-(4-chloro-2-methylphenyl)-N-[(2S)-2-hydroxy-3,3-dimethylbutyl]oxamide
CID 96530978
3-[1-(4-chlorophenyl)ethylamino]-1,1,1-trifluoropropan-2-ol
CID 63902301
(2S)-1-(3,6-dichlorocarbazol-9-yl)-3-(2,4-dimethylanilino)propan-2-ol
CID 1050322
4-chloro-2-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103723353
3-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-1,1,1-trifluoropropan-2-ol
CID 81372262

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-2-methylanilino)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-(4-chloro-2-methylanilino)-1,1,1-trifluoropropan-2-ol (CID 126846999) is 3-(4-chloro-2-methylanilino)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-(4-chloro-2-methylanilino)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-(4-chloro-2-methylanilino)-1,1,1-trifluoropropan-2-ol is Cc1cc(Cl)ccc1NCC(O)C(F)(F)F.
What is the InChIKey of 3-(4-chloro-2-methylanilino)-1,1,1-trifluoropropan-2-ol?
The InChIKey is VOPNJMPSDVRJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3NO/c1-6-4-7(11)2-3-8(6)15-5-9(16)10(12,13)14/h2-4,9,15-16H,5H2,1H3.
What are the key properties of 3-(4-chloro-2-methylanilino)-1,1,1-trifluoropropan-2-ol?
3-(4-chloro-2-methylanilino)-1,1,1-trifluoropropan-2-ol has a molecular weight of 253.65 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-2-methylanilino)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 126846999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).