3-[(2-chloro-6-methylsulfonylphenyl)methylamino]-1,1-difluoropropan-2-ol

C11H14ClF2NO3S — CID 104589829

IUPAC3-[(2-chloro-6-methylsulfonylphenyl)methylamino]-1,1-difluoropropan-2-ol
SMILESCS(=O)(=O)c1cccc(Cl)c1CNCC(O)C(F)F
InChIInChI=1S/C11H14ClF2NO3S/c1-19(17,18)10-4-2-3-8(12)7(10)5-15-6-9(16)11(13)14/h2-4,9,11,15-16H,5-6H2,1H3
InChIKeyZVZUTWIDGMNLLO-UHFFFAOYSA-N
MW313.75 g/mol
LogP1.46
Rot. Bonds6

About 3-[(2-chloro-6-methylsulfonylphenyl)methylamino]-1,1-difluoropropan-2-ol

3-[(2-chloro-6-methylsulfonylphenyl)methylamino]-1,1-difluoropropan-2-ol (PubChem CID 104589829) has the molecular formula C11H14ClF2NO3S and a molecular weight of 313.75 g/mol. Its IUPAC name is 3-[(2-chloro-6-methylsulfonylphenyl)methylamino]-1,1-difluoropropan-2-ol.

Molecular Properties

Compound Name3-[(2-chloro-6-methylsulfonylphenyl)methylamino]-1,1-difluoropropan-2-ol
PubChem CID104589829
Molecular FormulaC11H14ClF2NO3S
Molecular Weight313.75 g/mol
Exact Mass313.04
IUPAC Name3-[(2-chloro-6-methylsulfonylphenyl)methylamino]-1,1-difluoropropan-2-ol
SMILESCS(=O)(=O)c1cccc(Cl)c1CNCC(O)C(F)F
InChIInChI=1S/C11H14ClF2NO3S/c1-19(17,18)10-4-2-3-8(12)7(10)5-15-6-9(16)11(13)14/h2-4,9,11,15-16H,5-6H2,1H3
InChIKeyZVZUTWIDGMNLLO-UHFFFAOYSA-N
XLogP1.46
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.75
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(2-chloro-6-methylsulfonylphenyl)methylamino]-1,1-difluoropropan-2-ol with MolForge

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Related Compounds

1,1,1-Trifluoro-3-[(4-methylsulfonylphenyl)methylamino]propan-2-ol
CID 61530259
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 83167957
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-5,5,5-trifluoropentan-1-amine
CID 83168220
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-(4-fluorophenyl)methanamine
CID 83169055
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-(2-fluorophenyl)methanamine
CID 83169057
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-(3-fluorophenyl)methanamine
CID 83169298
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2,2-difluoroethanamine
CID 83170213
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-4,4,4-trifluorobutan-1-amine
CID 83170370
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2,2,2-trifluoroethanamine
CID 83170586
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-3,3,3-trifluoropropan-1-amine
CID 83170674
1-(2-chloro-6-methylsulfonylphenyl)-N-(2,2,2-trifluoroethoxy)methanamine
CID 83170922
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2-(2,2-difluoroethoxy)ethanamine
CID 103081018

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-6-methylsulfonylphenyl)methylamino]-1,1-difluoropropan-2-ol?
The IUPAC name of 3-[(2-chloro-6-methylsulfonylphenyl)methylamino]-1,1-difluoropropan-2-ol (CID 104589829) is 3-[(2-chloro-6-methylsulfonylphenyl)methylamino]-1,1-difluoropropan-2-ol.
What is the SMILES notation for 3-[(2-chloro-6-methylsulfonylphenyl)methylamino]-1,1-difluoropropan-2-ol?
The canonical SMILES for 3-[(2-chloro-6-methylsulfonylphenyl)methylamino]-1,1-difluoropropan-2-ol is CS(=O)(=O)c1cccc(Cl)c1CNCC(O)C(F)F.
What is the InChIKey of 3-[(2-chloro-6-methylsulfonylphenyl)methylamino]-1,1-difluoropropan-2-ol?
The InChIKey is ZVZUTWIDGMNLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF2NO3S/c1-19(17,18)10-4-2-3-8(12)7(10)5-15-6-9(16)11(13)14/h2-4,9,11,15-16H,5-6H2,1H3.
What are the key properties of 3-[(2-chloro-6-methylsulfonylphenyl)methylamino]-1,1-difluoropropan-2-ol?
3-[(2-chloro-6-methylsulfonylphenyl)methylamino]-1,1-difluoropropan-2-ol has a molecular weight of 313.75 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-6-methylsulfonylphenyl)methylamino]-1,1-difluoropropan-2-ol is sourced from PubChem (CID 104589829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).