1-(4-fluorophenyl)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-1-ol

C14H19F4NO — CID 62630487

IUPAC1-(4-fluorophenyl)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-1-ol
SMILESCC(C)N(CCC(O)c1ccc(F)cc1)CC(F)(F)F
InChIInChI=1S/C14H19F4NO/c1-10(2)19(9-14(16,17)18)8-7-13(20)11-3-5-12(15)6-4-11/h3-6,10,13,20H,7-9H2,1-2H3
InChIKeyLRIUKFRZYCBCLS-UHFFFAOYSA-N
MW293.30 g/mol
LogP3.52
Rot. Bonds6

About 1-(4-fluorophenyl)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-1-ol

1-(4-fluorophenyl)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-1-ol (PubChem CID 62630487) has the molecular formula C14H19F4NO and a molecular weight of 293.30 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-1-ol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-1-ol
PubChem CID62630487
Molecular FormulaC14H19F4NO
Molecular Weight293.30 g/mol
Exact Mass293.14
IUPAC Name1-(4-fluorophenyl)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-1-ol
SMILESCC(C)N(CCC(O)c1ccc(F)cc1)CC(F)(F)F
InChIInChI=1S/C14H19F4NO/c1-10(2)19(9-14(16,17)18)8-7-13(20)11-3-5-12(15)6-4-11/h3-6,10,13,20H,7-9H2,1-2H3
InChIKeyLRIUKFRZYCBCLS-UHFFFAOYSA-N
XLogP3.52
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[2-(4-fluorophenyl)-2-hydroxyethyl]-propan-2-ylamino]propan-2-ol
CID 111107929
N-[4-(4-fluorophenyl)-4-hydroxybutyl]-N-propan-2-ylacetamide
CID 5180780
1-(4-bromophenyl)-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 62619620
3-[benzyl(propan-2-yl)amino]-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 59570710
3-[ethyl(propyl)amino]-1-(4-fluorophenyl)propan-1-ol
CID 55099258
1-(4-methylphenyl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 62618647
1-(4-fluorophenyl)-2-N-propyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 107520567
N'-ethyl-1-(4-fluorophenyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62643077
3-[2-methylpropyl(propan-2-yl)amino]-1-phenylpropan-1-ol
CID 62613763
1-(4-chlorophenyl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 62628604
1-(3-fluorophenyl)-3-[2-hydroxyethyl(propan-2-yl)amino]propan-1-ol
CID 55098979
1-(2-fluorophenyl)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-1-one
CID 62619704

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-1-ol?
The IUPAC name of 1-(4-fluorophenyl)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-1-ol (CID 62630487) is 1-(4-fluorophenyl)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-1-ol.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-1-ol?
The canonical SMILES for 1-(4-fluorophenyl)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-1-ol is CC(C)N(CCC(O)c1ccc(F)cc1)CC(F)(F)F.
What is the InChIKey of 1-(4-fluorophenyl)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-1-ol?
The InChIKey is LRIUKFRZYCBCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F4NO/c1-10(2)19(9-14(16,17)18)8-7-13(20)11-3-5-12(15)6-4-11/h3-6,10,13,20H,7-9H2,1-2H3.
What are the key properties of 1-(4-fluorophenyl)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-1-ol?
1-(4-fluorophenyl)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-1-ol has a molecular weight of 293.30 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-1-ol is sourced from PubChem (CID 62630487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).