3-amino-1,1,1-trifluoro-2-(3-propylphenyl)propan-2-ol

C12H16F3NO — CID 116545598

IUPAC3-amino-1,1,1-trifluoro-2-(3-propylphenyl)propan-2-ol
SMILESCCCc1cccc(C(O)(CN)C(F)(F)F)c1
InChIInChI=1S/C12H16F3NO/c1-2-4-9-5-3-6-10(7-9)11(17,8-16)12(13,14)15/h3,5-7,17H,2,4,8,16H2,1H3
InChIKeyAMNHAZWJFRGKSC-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.35
Rot. Bonds4

About 3-amino-1,1,1-trifluoro-2-(3-propylphenyl)propan-2-ol

3-amino-1,1,1-trifluoro-2-(3-propylphenyl)propan-2-ol (PubChem CID 116545598) has the molecular formula C12H16F3NO and a molecular weight of 247.26 g/mol. Its IUPAC name is 3-amino-1,1,1-trifluoro-2-(3-propylphenyl)propan-2-ol.

Molecular Properties

Compound Name3-amino-1,1,1-trifluoro-2-(3-propylphenyl)propan-2-ol
PubChem CID116545598
Molecular FormulaC12H16F3NO
Molecular Weight247.26 g/mol
Exact Mass247.12
IUPAC Name3-amino-1,1,1-trifluoro-2-(3-propylphenyl)propan-2-ol
SMILESCCCc1cccc(C(O)(CN)C(F)(F)F)c1
InChIInChI=1S/C12H16F3NO/c1-2-4-9-5-3-6-10(7-9)11(17,8-16)12(13,14)15/h3,5-7,17H,2,4,8,16H2,1H3
InChIKeyAMNHAZWJFRGKSC-UHFFFAOYSA-N
XLogP2.35
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,1,3,3,3-hexafluoro-2-(3-propylphenyl)propan-2-ol
CID 20728974
4,5,5,5-tetrafluoro-2-(3-propylphenyl)-4-(trifluoromethyl)pentan-2-ol
CID 156764819
3-amino-2-(3-bromophenyl)-1,1,1-trifluoropropan-2-ol
CID 84739096
3-(3-propylphenyl)pentan-3-ol
CID 116542305
1-(4-fluorophenyl)-1-(3-propylphenyl)ethanol
CID 116542276
2-[3-(1,1,1,2-tetrafluoropropan-2-yl)phenyl]ethanamine
CID 115040642
1-[2-(1-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-3-propylbenzene
CID 20728984
1-(3,5-dimethylphenyl)-1-(3-propylphenyl)ethanol
CID 116542790
4-(3-tert-butylphenyl)-2,2-difluorobutan-1-amine
CID 66581986
1-[3-(trifluoromethyl)phenyl]hexan-3-ol
CID 55134975
1-(2-methylsulfanylpropan-2-yl)-3-propylbenzene
CID 91471137
1-tert-butyl-3-(2,2-dimethylpropyl)benzene;1-(2,2-dimethylpropyl)-3-propylbenzene
CID 145400173

Frequently Asked Questions

What is the IUPAC name of 3-amino-1,1,1-trifluoro-2-(3-propylphenyl)propan-2-ol?
The IUPAC name of 3-amino-1,1,1-trifluoro-2-(3-propylphenyl)propan-2-ol (CID 116545598) is 3-amino-1,1,1-trifluoro-2-(3-propylphenyl)propan-2-ol.
What is the SMILES notation for 3-amino-1,1,1-trifluoro-2-(3-propylphenyl)propan-2-ol?
The canonical SMILES for 3-amino-1,1,1-trifluoro-2-(3-propylphenyl)propan-2-ol is CCCc1cccc(C(O)(CN)C(F)(F)F)c1.
What is the InChIKey of 3-amino-1,1,1-trifluoro-2-(3-propylphenyl)propan-2-ol?
The InChIKey is AMNHAZWJFRGKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO/c1-2-4-9-5-3-6-10(7-9)11(17,8-16)12(13,14)15/h3,5-7,17H,2,4,8,16H2,1H3.
What are the key properties of 3-amino-1,1,1-trifluoro-2-(3-propylphenyl)propan-2-ol?
3-amino-1,1,1-trifluoro-2-(3-propylphenyl)propan-2-ol has a molecular weight of 247.26 g/mol, XLogP of 2.35, 4 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-(3-propylphenyl)propan-2-ol is sourced from PubChem (CID 116545598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).