2-methyl-3-[2-(trifluoromethylsulfonyl)anilino]propan-1-ol

C11H14F3NO3S — CID 61362995

IUPAC2-methyl-3-[2-(trifluoromethylsulfonyl)anilino]propan-1-ol
SMILESCC(CO)CNc1ccccc1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C11H14F3NO3S/c1-8(7-16)6-15-9-4-2-3-5-10(9)19(17,18)11(12,13)14/h2-5,8,15-16H,6-7H2,1H3
InChIKeyJGFBARMAAIKMFR-UHFFFAOYSA-N
MW297.30 g/mol
LogP2.02
Rot. Bonds5

About 2-methyl-3-[2-(trifluoromethylsulfonyl)anilino]propan-1-ol

2-methyl-3-[2-(trifluoromethylsulfonyl)anilino]propan-1-ol (PubChem CID 61362995) has the molecular formula C11H14F3NO3S and a molecular weight of 297.30 g/mol. Its IUPAC name is 2-methyl-3-[2-(trifluoromethylsulfonyl)anilino]propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-[2-(trifluoromethylsulfonyl)anilino]propan-1-ol
PubChem CID61362995
Molecular FormulaC11H14F3NO3S
Molecular Weight297.30 g/mol
Exact Mass297.06
IUPAC Name2-methyl-3-[2-(trifluoromethylsulfonyl)anilino]propan-1-ol
SMILESCC(CO)CNc1ccccc1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C11H14F3NO3S/c1-8(7-16)6-15-9-4-2-3-5-10(9)19(17,18)11(12,13)14/h2-5,8,15-16H,6-7H2,1H3
InChIKeyJGFBARMAAIKMFR-UHFFFAOYSA-N
XLogP2.02
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[2-(trifluoromethylsulfonyl)anilino]propan-2-ol
CID 93044584
1-[2-(trifluoromethylsulfonyl)anilino]propan-2-ol
CID 43427898
N-(2-chloropropyl)-2-(trifluoromethylsulfonyl)aniline
CID 65027421
3-[4-fluoro-2-(trifluoromethylsulfonyl)anilino]-2-methylpropan-1-ol
CID 62868100
(3R)-3-[[2-(trifluoromethylsulfonyl)anilino]methyl]pentan-1-ol
CID 95975669
2-hydroxy-3-[2-(trifluoromethylsulfonyl)anilino]propanamide
CID 107257686
N-(2-chlorobutyl)-2-(trifluoromethylsulfonyl)aniline
CID 113492826
N-cyclopropyl-2-[(3-hydroxy-2-methylpropyl)amino]benzenesulfonamide
CID 65036251
N-(3-chlorobutyl)-2-(trifluoromethylsulfonyl)aniline
CID 65028628
2-methyl-N'-[2-(trifluoromethylsulfonyl)phenyl]pentane-1,5-diamine
CID 106155437
3-(2-tert-butylanilino)-2-methylpropan-1-ol
CID 115871945
N,N-dimethyl-1-thiophen-2-yl-N'-[2-(trifluoromethylsulfonyl)phenyl]ethane-1,2-diamine
CID 42958412

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[2-(trifluoromethylsulfonyl)anilino]propan-1-ol?
The IUPAC name of 2-methyl-3-[2-(trifluoromethylsulfonyl)anilino]propan-1-ol (CID 61362995) is 2-methyl-3-[2-(trifluoromethylsulfonyl)anilino]propan-1-ol.
What is the SMILES notation for 2-methyl-3-[2-(trifluoromethylsulfonyl)anilino]propan-1-ol?
The canonical SMILES for 2-methyl-3-[2-(trifluoromethylsulfonyl)anilino]propan-1-ol is CC(CO)CNc1ccccc1S(=O)(=O)C(F)(F)F.
What is the InChIKey of 2-methyl-3-[2-(trifluoromethylsulfonyl)anilino]propan-1-ol?
The InChIKey is JGFBARMAAIKMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO3S/c1-8(7-16)6-15-9-4-2-3-5-10(9)19(17,18)11(12,13)14/h2-5,8,15-16H,6-7H2,1H3.
What are the key properties of 2-methyl-3-[2-(trifluoromethylsulfonyl)anilino]propan-1-ol?
2-methyl-3-[2-(trifluoromethylsulfonyl)anilino]propan-1-ol has a molecular weight of 297.30 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[2-(trifluoromethylsulfonyl)anilino]propan-1-ol is sourced from PubChem (CID 61362995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).