1,1,1-trifluoro-3-[1-(4-fluorophenyl)pentylamino]propan-2-ol

C14H19F4NO — CID 103778683

IUPAC1,1,1-trifluoro-3-[1-(4-fluorophenyl)pentylamino]propan-2-ol
SMILESCCCCC(NCC(O)C(F)(F)F)c1ccc(F)cc1
InChIInChI=1S/C14H19F4NO/c1-2-3-4-12(10-5-7-11(15)8-6-10)19-9-13(20)14(16,17)18/h5-8,12-13,19-20H,2-4,9H2,1H3
InChIKeyVYXTVURNDINIHC-UHFFFAOYSA-N
MW293.30 g/mol
LogP3.57
Rot. Bonds7

About 1,1,1-trifluoro-3-[1-(4-fluorophenyl)pentylamino]propan-2-ol

1,1,1-trifluoro-3-[1-(4-fluorophenyl)pentylamino]propan-2-ol (PubChem CID 103778683) has the molecular formula C14H19F4NO and a molecular weight of 293.30 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[1-(4-fluorophenyl)pentylamino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[1-(4-fluorophenyl)pentylamino]propan-2-ol
PubChem CID103778683
Molecular FormulaC14H19F4NO
Molecular Weight293.30 g/mol
Exact Mass293.14
IUPAC Name1,1,1-trifluoro-3-[1-(4-fluorophenyl)pentylamino]propan-2-ol
SMILESCCCCC(NCC(O)C(F)(F)F)c1ccc(F)cc1
InChIInChI=1S/C14H19F4NO/c1-2-3-4-12(10-5-7-11(15)8-6-10)19-9-13(20)14(16,17)18/h5-8,12-13,19-20H,2-4,9H2,1H3
InChIKeyVYXTVURNDINIHC-UHFFFAOYSA-N
XLogP3.57
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(4-fluorophenyl)pentylamino]-2-methylpropanenitrile
CID 62647610
1-N-[1-(4-fluorophenyl)pentyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43111700
1-[[1-(4-fluorophenyl)pentylamino]methyl]cyclopentan-1-ol
CID 65105165
3-[1-(4-fluorophenyl)pentylamino]-2,2-dimethylpropanamide
CID 103917130
1-(4-fluorophenyl)pentylhydrazine
CID 53402329
2-[1-(4-fluorophenyl)pentylamino]-N-methylacetamide
CID 43310401
N-(2-ethylsulfonylethyl)-1-(4-fluorophenyl)pentan-1-amine
CID 103780964
1-(4-fluorophenyl)-N-propan-2-ylpentan-1-amine
CID 43111233
4-fluoro-N-[1-(4-fluorophenyl)pentyl]aniline
CID 43107477
2-[1-(4-fluorophenyl)pentylamino]-N-(2-methylpropyl)acetamide
CID 115920167
1-(4-fluorophenyl)-N-methoxypentan-1-amine
CID 82706495
N-(2-cyclohexylethyl)-1-(4-fluorophenyl)pentan-1-amine
CID 63448264

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[1-(4-fluorophenyl)pentylamino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[1-(4-fluorophenyl)pentylamino]propan-2-ol (CID 103778683) is 1,1,1-trifluoro-3-[1-(4-fluorophenyl)pentylamino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[1-(4-fluorophenyl)pentylamino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[1-(4-fluorophenyl)pentylamino]propan-2-ol is CCCCC(NCC(O)C(F)(F)F)c1ccc(F)cc1.
What is the InChIKey of 1,1,1-trifluoro-3-[1-(4-fluorophenyl)pentylamino]propan-2-ol?
The InChIKey is VYXTVURNDINIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F4NO/c1-2-3-4-12(10-5-7-11(15)8-6-10)19-9-13(20)14(16,17)18/h5-8,12-13,19-20H,2-4,9H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-[1-(4-fluorophenyl)pentylamino]propan-2-ol?
1,1,1-trifluoro-3-[1-(4-fluorophenyl)pentylamino]propan-2-ol has a molecular weight of 293.30 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[1-(4-fluorophenyl)pentylamino]propan-2-ol is sourced from PubChem (CID 103778683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).