1-(4-chlorophenyl)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-1-ol

C14H17ClF3NO — CID 62630833

IUPAC1-(4-chlorophenyl)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-1-ol
SMILESOC(CCN(CC(F)(F)F)C1CC1)c1ccc(Cl)cc1
InChIInChI=1S/C14H17ClF3NO/c15-11-3-1-10(2-4-11)13(20)7-8-19(12-5-6-12)9-14(16,17)18/h1-4,12-13,20H,5-9H2
InChIKeySIGRBYORFNMHIY-UHFFFAOYSA-N
MW307.74 g/mol
LogP3.79
Rot. Bonds6

About 1-(4-chlorophenyl)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-1-ol

1-(4-chlorophenyl)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-1-ol (PubChem CID 62630833) has the molecular formula C14H17ClF3NO and a molecular weight of 307.74 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-1-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-1-ol
PubChem CID62630833
Molecular FormulaC14H17ClF3NO
Molecular Weight307.74 g/mol
Exact Mass307.10
IUPAC Name1-(4-chlorophenyl)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-1-ol
SMILESOC(CCN(CC(F)(F)F)C1CC1)c1ccc(Cl)cc1
InChIInChI=1S/C14H17ClF3NO/c15-11-3-1-10(2-4-11)13(20)7-8-19(12-5-6-12)9-14(16,17)18/h1-4,12-13,20H,5-9H2
InChIKeySIGRBYORFNMHIY-UHFFFAOYSA-N
XLogP3.79
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-3-[cyclopentyl(2-hydroxyethyl)amino]propan-1-ol
CID 62629823
1-(4-chlorophenyl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 62628604
1-(4-chlorophenyl)-3-[cyclopropyl(thiophen-3-ylmethyl)amino]propan-1-ol
CID 62630679
1-(4-chlorophenyl)-3-[cyclopropylmethyl(methyl)amino]propan-1-ol
CID 62628773
1-[cyclopropyl(2,2,2-trifluoroethyl)amino]-4,4-dimethylpentan-3-ol
CID 62624111
1-(4-chlorophenyl)-3-fluoropropan-1-ol
CID 146533212
1-(4-chlorophenyl)-3-cyclohexylpropan-1-ol
CID 55197705
1-(3-chlorophenyl)-3-[cyclopropyl(3-methylbutyl)amino]propan-1-ol
CID 78991345
1-(4-chlorophenyl)-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol
CID 82753878
1-(4-fluorophenyl)-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 62630487
1-(4-chlorophenyl)-3-[ethyl(propyl)amino]propan-1-ol
CID 55099257
1-(4-methylphenyl)-3-[propyl(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 62618647

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-1-ol?
The IUPAC name of 1-(4-chlorophenyl)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-1-ol (CID 62630833) is 1-(4-chlorophenyl)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-1-ol.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-1-ol?
The canonical SMILES for 1-(4-chlorophenyl)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-1-ol is OC(CCN(CC(F)(F)F)C1CC1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-1-ol?
The InChIKey is SIGRBYORFNMHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClF3NO/c15-11-3-1-10(2-4-11)13(20)7-8-19(12-5-6-12)9-14(16,17)18/h1-4,12-13,20H,5-9H2.
What are the key properties of 1-(4-chlorophenyl)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-1-ol?
1-(4-chlorophenyl)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-1-ol has a molecular weight of 307.74 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[cyclopropyl(2,2,2-trifluoroethyl)amino]propan-1-ol is sourced from PubChem (CID 62630833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).