1-(cyclopropylamino)-2-[4-fluoro-3-(trifluoromethyl)phenyl]propan-2-ol

C13H15F4NO — CID 107290618

IUPAC1-(cyclopropylamino)-2-[4-fluoro-3-(trifluoromethyl)phenyl]propan-2-ol
SMILESCC(O)(CNC1CC1)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C13H15F4NO/c1-12(19,7-18-9-3-4-9)8-2-5-11(14)10(6-8)13(15,16)17/h2,5-6,9,18-19H,3-4,7H2,1H3
InChIKeyIZMUJQQTTXODNC-UHFFFAOYSA-N
MW277.26 g/mol
LogP2.80
Rot. Bonds4

About 1-(cyclopropylamino)-2-[4-fluoro-3-(trifluoromethyl)phenyl]propan-2-ol

1-(cyclopropylamino)-2-[4-fluoro-3-(trifluoromethyl)phenyl]propan-2-ol (PubChem CID 107290618) has the molecular formula C13H15F4NO and a molecular weight of 277.26 g/mol. Its IUPAC name is 1-(cyclopropylamino)-2-[4-fluoro-3-(trifluoromethyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name1-(cyclopropylamino)-2-[4-fluoro-3-(trifluoromethyl)phenyl]propan-2-ol
PubChem CID107290618
Molecular FormulaC13H15F4NO
Molecular Weight277.26 g/mol
Exact Mass277.11
IUPAC Name1-(cyclopropylamino)-2-[4-fluoro-3-(trifluoromethyl)phenyl]propan-2-ol
SMILESCC(O)(CNC1CC1)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C13H15F4NO/c1-12(19,7-18-9-3-4-9)8-2-5-11(14)10(6-8)13(15,16)17/h2,5-6,9,18-19H,3-4,7H2,1H3
InChIKeyIZMUJQQTTXODNC-UHFFFAOYSA-N
XLogP2.80
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclopropylamino)-2-(2,4-difluorophenyl)propan-2-ol
CID 62772825
2-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methoxypropan-2-ol
CID 107287106
1-(cyclopropylamino)-2-(3-fluoro-5-methylphenyl)propan-2-ol
CID 79704774
1-(cyclopropylamino)-2-(4-methoxyphenyl)propan-2-ol
CID 62773017
1-(cyclopropylamino)-2-(2,5-dichlorophenyl)propan-2-ol
CID 62773402
2-(4-cyclobutylphenyl)-1-(cyclopropylamino)propan-2-ol
CID 116507021
2-(4-chloro-3-methoxyphenyl)-1-(cyclopropylamino)propan-2-ol
CID 79697533
2-(3-chlorophenyl)-1-(cyclopentylamino)propan-2-ol
CID 119107466
1-(cyclopropylamino)-2-(9H-fluoren-2-yl)propan-2-ol
CID 62775351
N-[2-(4-chlorophenyl)-2,2-difluoroethyl]cyclopropanamine
CID 83108213
1-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(1-methylcyclopropyl)ethanol
CID 107287623
N-[2-[4-fluoro-3-(trifluoromethyl)phenoxy]propyl]cyclopropanamine
CID 102747392

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-2-[4-fluoro-3-(trifluoromethyl)phenyl]propan-2-ol?
The IUPAC name of 1-(cyclopropylamino)-2-[4-fluoro-3-(trifluoromethyl)phenyl]propan-2-ol (CID 107290618) is 1-(cyclopropylamino)-2-[4-fluoro-3-(trifluoromethyl)phenyl]propan-2-ol.
What is the SMILES notation for 1-(cyclopropylamino)-2-[4-fluoro-3-(trifluoromethyl)phenyl]propan-2-ol?
The canonical SMILES for 1-(cyclopropylamino)-2-[4-fluoro-3-(trifluoromethyl)phenyl]propan-2-ol is CC(O)(CNC1CC1)c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 1-(cyclopropylamino)-2-[4-fluoro-3-(trifluoromethyl)phenyl]propan-2-ol?
The InChIKey is IZMUJQQTTXODNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F4NO/c1-12(19,7-18-9-3-4-9)8-2-5-11(14)10(6-8)13(15,16)17/h2,5-6,9,18-19H,3-4,7H2,1H3.
What are the key properties of 1-(cyclopropylamino)-2-[4-fluoro-3-(trifluoromethyl)phenyl]propan-2-ol?
1-(cyclopropylamino)-2-[4-fluoro-3-(trifluoromethyl)phenyl]propan-2-ol has a molecular weight of 277.26 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-2-[4-fluoro-3-(trifluoromethyl)phenyl]propan-2-ol is sourced from PubChem (CID 107290618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).