3-amino-1,1,1-trifluoro-2-(5-fluoro-2-methylphenyl)propan-2-ol

C10H11F4NO — CID 63082919

IUPAC3-amino-1,1,1-trifluoro-2-(5-fluoro-2-methylphenyl)propan-2-ol
SMILESCc1ccc(F)cc1C(O)(CN)C(F)(F)F
InChIInChI=1S/C10H11F4NO/c1-6-2-3-7(11)4-8(6)9(16,5-15)10(12,13)14/h2-4,16H,5,15H2,1H3
InChIKeyZICHWQWDUJBJJS-UHFFFAOYSA-N
MW237.20 g/mol
LogP1.84
Rot. Bonds2

About 3-amino-1,1,1-trifluoro-2-(5-fluoro-2-methylphenyl)propan-2-ol

3-amino-1,1,1-trifluoro-2-(5-fluoro-2-methylphenyl)propan-2-ol (PubChem CID 63082919) has the molecular formula C10H11F4NO and a molecular weight of 237.20 g/mol. Its IUPAC name is 3-amino-1,1,1-trifluoro-2-(5-fluoro-2-methylphenyl)propan-2-ol.

Molecular Properties

Compound Name3-amino-1,1,1-trifluoro-2-(5-fluoro-2-methylphenyl)propan-2-ol
PubChem CID63082919
Molecular FormulaC10H11F4NO
Molecular Weight237.20 g/mol
Exact Mass237.08
IUPAC Name3-amino-1,1,1-trifluoro-2-(5-fluoro-2-methylphenyl)propan-2-ol
SMILESCc1ccc(F)cc1C(O)(CN)C(F)(F)F
InChIInChI=1S/C10H11F4NO/c1-6-2-3-7(11)4-8(6)9(16,5-15)10(12,13)14/h2-4,16H,5,15H2,1H3
InChIKeyZICHWQWDUJBJJS-UHFFFAOYSA-N
XLogP1.84
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.20
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1,1,1-trifluoro-2-(2,4,5-trimethylphenyl)propan-2-ol
CID 64985200
2-fluoro-2-(4-fluoro-2-methylphenyl)propan-1-amine
CID 112565193
1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-2,4-dimethylpentan-2-ol
CID 91089694
2-cyclopropyl-2-fluoro-2-(5-fluoro-2-methylphenyl)ethanamine
CID 112567042
3-amino-1,1,1-trifluoro-2-(2,3,4-trifluorophenyl)propan-2-ol
CID 63081377
3-amino-1,1,1-trifluoro-2-(2-methoxy-4-methylphenyl)propan-2-ol
CID 83919722
2-(1,1-difluoroethyl)-4-fluoro-1-methylbenzene
CID 143135341
(2R)-3-amino-1-(5-bromo-3-methyl-2-pyridinyl)-2-(2,4-difluorophenyl)-1,1-difluoropropan-2-ol
CID 163718588
1-amino-2-(2,5-difluorophenyl)propan-2-ol
CID 62773185
1-amino-3-(5-fluoro-2-methylphenyl)-2-methylpropan-2-ol
CID 105372977
(2R)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-(5-methyl-2-pyridinyl)propan-2-ol
CID 118397061
3-amino-2-(3,5-dimethylphenyl)-1,1,1-trifluoropropan-2-ol
CID 63083089

Frequently Asked Questions

What is the IUPAC name of 3-amino-1,1,1-trifluoro-2-(5-fluoro-2-methylphenyl)propan-2-ol?
The IUPAC name of 3-amino-1,1,1-trifluoro-2-(5-fluoro-2-methylphenyl)propan-2-ol (CID 63082919) is 3-amino-1,1,1-trifluoro-2-(5-fluoro-2-methylphenyl)propan-2-ol.
What is the SMILES notation for 3-amino-1,1,1-trifluoro-2-(5-fluoro-2-methylphenyl)propan-2-ol?
The canonical SMILES for 3-amino-1,1,1-trifluoro-2-(5-fluoro-2-methylphenyl)propan-2-ol is Cc1ccc(F)cc1C(O)(CN)C(F)(F)F.
What is the InChIKey of 3-amino-1,1,1-trifluoro-2-(5-fluoro-2-methylphenyl)propan-2-ol?
The InChIKey is ZICHWQWDUJBJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F4NO/c1-6-2-3-7(11)4-8(6)9(16,5-15)10(12,13)14/h2-4,16H,5,15H2,1H3.
What are the key properties of 3-amino-1,1,1-trifluoro-2-(5-fluoro-2-methylphenyl)propan-2-ol?
3-amino-1,1,1-trifluoro-2-(5-fluoro-2-methylphenyl)propan-2-ol has a molecular weight of 237.20 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,1,1-trifluoro-2-(5-fluoro-2-methylphenyl)propan-2-ol is sourced from PubChem (CID 63082919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).