2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(propylamino)ethanol

C12H15F4NO — CID 115351216

IUPAC2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(propylamino)ethanol
SMILESCCCNC(CO)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C12H15F4NO/c1-2-3-17-11(7-18)8-4-9(12(14,15)16)6-10(13)5-8/h4-6,11,17-18H,2-3,7H2,1H3
InChIKeyRVFJGGOMTXECOY-UHFFFAOYSA-N
MW265.25 g/mol
LogP2.88
Rot. Bonds5

About 2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(propylamino)ethanol

2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(propylamino)ethanol (PubChem CID 115351216) has the molecular formula C12H15F4NO and a molecular weight of 265.25 g/mol. Its IUPAC name is 2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(propylamino)ethanol.

Molecular Properties

Compound Name2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(propylamino)ethanol
PubChem CID115351216
Molecular FormulaC12H15F4NO
Molecular Weight265.25 g/mol
Exact Mass265.11
IUPAC Name2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(propylamino)ethanol
SMILESCCCNC(CO)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C12H15F4NO/c1-2-3-17-11(7-18)8-4-9(12(14,15)16)6-10(13)5-8/h4-6,11,17-18H,2-3,7H2,1H3
InChIKeyRVFJGGOMTXECOY-UHFFFAOYSA-N
XLogP2.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.25
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-fluoro-5-(trifluoromethyl)phenyl]-3-(propylamino)propanamide
CID 115351332
3-(ethylamino)-3-[3-fluoro-5-(trifluoromethyl)phenyl]propan-1-ol
CID 113292116
2-chloro-2-[3-fluoro-5-(trifluoromethyl)phenyl]-N-propylacetamide
CID 115350528
(1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethane-1,2-diol
CID 175586599
(1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]butan-1-ol
CID 97294442
(1S)-1-[3-fluoro-5-(trifluoromethyl)phenyl]butan-1-ol
CID 97294441
methyl 3-(ethylamino)-3-[3-fluoro-5-(trifluoromethyl)phenyl]propanoate
CID 115351334
(1R)-1-[3-fluoro-5-(trifluoromethyl)phenyl]propan-1-ol
CID 97294480
2-(3,5-difluorophenyl)-2-(2-methoxyethylamino)ethanol
CID 106531859
ethyl 2-(ethylamino)-2-[3-fluoro-5-(trifluoromethyl)phenyl]acetate
CID 115350918
2-(4-tert-butylphenyl)-2-(propylamino)ethanol
CID 61054986
N-[1-(3,5-difluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]propan-1-amine
CID 105142084

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(propylamino)ethanol?
The IUPAC name of 2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(propylamino)ethanol (CID 115351216) is 2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(propylamino)ethanol.
What is the SMILES notation for 2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(propylamino)ethanol?
The canonical SMILES for 2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(propylamino)ethanol is CCCNC(CO)c1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(propylamino)ethanol?
The InChIKey is RVFJGGOMTXECOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F4NO/c1-2-3-17-11(7-18)8-4-9(12(14,15)16)6-10(13)5-8/h4-6,11,17-18H,2-3,7H2,1H3.
What are the key properties of 2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(propylamino)ethanol?
2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(propylamino)ethanol has a molecular weight of 265.25 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(propylamino)ethanol is sourced from PubChem (CID 115351216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).