2,2-difluoro-3-[(5-fluoro-2-methylphenyl)methylamino]propan-1-ol

C11H14F3NO — CID 104857334

IUPAC2,2-difluoro-3-[(5-fluoro-2-methylphenyl)methylamino]propan-1-ol
SMILESCc1ccc(F)cc1CNCC(F)(F)CO
InChIInChI=1S/C11H14F3NO/c1-8-2-3-10(12)4-9(8)5-15-6-11(13,14)7-16/h2-4,15-16H,5-7H2,1H3
InChIKeyAUZTYPHTNRSWQD-UHFFFAOYSA-N
MW233.23 g/mol
LogP1.85
Rot. Bonds5

About 2,2-difluoro-3-[(5-fluoro-2-methylphenyl)methylamino]propan-1-ol

2,2-difluoro-3-[(5-fluoro-2-methylphenyl)methylamino]propan-1-ol (PubChem CID 104857334) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is 2,2-difluoro-3-[(5-fluoro-2-methylphenyl)methylamino]propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-[(5-fluoro-2-methylphenyl)methylamino]propan-1-ol
PubChem CID104857334
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name2,2-difluoro-3-[(5-fluoro-2-methylphenyl)methylamino]propan-1-ol
SMILESCc1ccc(F)cc1CNCC(F)(F)CO
InChIInChI=1S/C11H14F3NO/c1-8-2-3-10(12)4-9(8)5-15-6-11(13,14)7-16/h2-4,15-16H,5-7H2,1H3
InChIKeyAUZTYPHTNRSWQD-UHFFFAOYSA-N
XLogP1.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(5-fluoro-2-methylphenyl)methylamino]-2-methylpropane-1,2-diol
CID 105371162
3-[(2-chloro-5-fluorophenyl)methylamino]-2,2-difluoropropan-1-ol
CID 106175909
N-[(5-fluoro-2-methylphenyl)methyl]ethanamine
CID 63049129
N-[1-[(5-fluoro-2-methylphenyl)methylamino]-2-methylpropan-2-yl]methanesulfonamide
CID 115968130
N-[(5-fluoro-2-methylphenyl)methyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 115968232
4,4,4-trifluoro-N-[(5-fluoro-2-methylphenyl)methyl]butan-1-amine
CID 113356259
N-[(5-fluoro-2-methylphenyl)methyl]-2-methyl-2-methylsulfonylpropan-1-amine
CID 115968243
2-[[(5-fluoro-2-methylphenyl)methylamino]methyl]phenol
CID 115968066
3-[(3-bromo-4-methylphenyl)methylamino]-2,2-difluoropropan-1-ol
CID 104857841
N-[(5-fluoro-2-methylphenyl)methyl]-4-methoxy-2,2-dimethylbutan-1-amine
CID 104624967
N-[(2-bromo-5-fluorophenyl)methyl]-1-(5-fluoro-2-methylphenyl)methanamine
CID 115967971
1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 63049128

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-[(5-fluoro-2-methylphenyl)methylamino]propan-1-ol?
The IUPAC name of 2,2-difluoro-3-[(5-fluoro-2-methylphenyl)methylamino]propan-1-ol (CID 104857334) is 2,2-difluoro-3-[(5-fluoro-2-methylphenyl)methylamino]propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-[(5-fluoro-2-methylphenyl)methylamino]propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-[(5-fluoro-2-methylphenyl)methylamino]propan-1-ol is Cc1ccc(F)cc1CNCC(F)(F)CO.
What is the InChIKey of 2,2-difluoro-3-[(5-fluoro-2-methylphenyl)methylamino]propan-1-ol?
The InChIKey is AUZTYPHTNRSWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-8-2-3-10(12)4-9(8)5-15-6-11(13,14)7-16/h2-4,15-16H,5-7H2,1H3.
What are the key properties of 2,2-difluoro-3-[(5-fluoro-2-methylphenyl)methylamino]propan-1-ol?
2,2-difluoro-3-[(5-fluoro-2-methylphenyl)methylamino]propan-1-ol has a molecular weight of 233.23 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-[(5-fluoro-2-methylphenyl)methylamino]propan-1-ol is sourced from PubChem (CID 104857334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).