(1S)-1-[3-fluoro-4-[methyl(3,3,3-trifluoropropyl)amino]phenyl]ethanol

C12H15F4NO — CID 79009341

IUPAC(1S)-1-[3-fluoro-4-[methyl(3,3,3-trifluoropropyl)amino]phenyl]ethanol
SMILESC[C@H](O)c1ccc(N(C)CCC(F)(F)F)c(F)c1
InChIInChI=1S/C12H15F4NO/c1-8(18)9-3-4-11(10(13)7-9)17(2)6-5-12(14,15)16/h3-4,7-8,18H,5-6H2,1-2H3/t8-/m0/s1
InChIKeyUYPHCBBNGIZBCR-QMMMGPOBSA-N
MW265.25 g/mol
LogP3.27
Rot. Bonds4

About (1S)-1-[3-fluoro-4-[methyl(3,3,3-trifluoropropyl)amino]phenyl]ethanol

(1S)-1-[3-fluoro-4-[methyl(3,3,3-trifluoropropyl)amino]phenyl]ethanol (PubChem CID 79009341) has the molecular formula C12H15F4NO and a molecular weight of 265.25 g/mol. Its IUPAC name is (1S)-1-[3-fluoro-4-[methyl(3,3,3-trifluoropropyl)amino]phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[3-fluoro-4-[methyl(3,3,3-trifluoropropyl)amino]phenyl]ethanol
PubChem CID79009341
Molecular FormulaC12H15F4NO
Molecular Weight265.25 g/mol
Exact Mass265.11
IUPAC Name(1S)-1-[3-fluoro-4-[methyl(3,3,3-trifluoropropyl)amino]phenyl]ethanol
SMILESC[C@H](O)c1ccc(N(C)CCC(F)(F)F)c(F)c1
InChIInChI=1S/C12H15F4NO/c1-8(18)9-3-4-11(10(13)7-9)17(2)6-5-12(14,15)16/h3-4,7-8,18H,5-6H2,1-2H3/t8-/m0/s1
InChIKeyUYPHCBBNGIZBCR-QMMMGPOBSA-N
XLogP3.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.25
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-[3-fluoro-4-[methyl(propyl)amino]phenyl]ethanol
CID 63370676
(1S)-1-[3-fluoro-4-[methyl(3-methylbutyl)amino]phenyl]ethanol
CID 55184298
1-[3-fluoro-4-[methyl(2-methylpropyl)amino]phenyl]ethanol
CID 43506175
(1S)-1-[3-fluoro-4-[methyl(pentyl)amino]phenyl]ethanol
CID 78939586
(1S)-1-[4-[methyl(3,3,3-trifluoropropyl)amino]-3-nitrophenyl]ethanol
CID 79009451
5-[2-fluoro-4-[(1S)-1-hydroxyethyl]-N-methylanilino]pentan-1-ol
CID 107200857
1-[3-fluoro-4-[(4-fluorophenyl)methyl-methylamino]phenyl]ethanol
CID 61412978
(1R)-1-[4-[(4-bromophenyl)methyl-methylamino]-3-fluorophenyl]ethanol
CID 63370984
(1R)-1-[3-fluoro-4-[methyl(pentan-3-yl)amino]phenyl]ethanol
CID 63370901
2-[2-fluoro-4-[(1R)-1-hydroxyethyl]-N-methylanilino]-N-propan-2-ylacetamide
CID 78940649
1-[4-[cyclohexylmethyl(methyl)amino]-3-fluorophenyl]ethanol
CID 61446052
(1R)-1-[4-[cyclopropyl(methyl)amino]-3-fluorophenyl]ethanol
CID 63370674

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-fluoro-4-[methyl(3,3,3-trifluoropropyl)amino]phenyl]ethanol?
The IUPAC name of (1S)-1-[3-fluoro-4-[methyl(3,3,3-trifluoropropyl)amino]phenyl]ethanol (CID 79009341) is (1S)-1-[3-fluoro-4-[methyl(3,3,3-trifluoropropyl)amino]phenyl]ethanol.
What is the SMILES notation for (1S)-1-[3-fluoro-4-[methyl(3,3,3-trifluoropropyl)amino]phenyl]ethanol?
The canonical SMILES for (1S)-1-[3-fluoro-4-[methyl(3,3,3-trifluoropropyl)amino]phenyl]ethanol is C[C@H](O)c1ccc(N(C)CCC(F)(F)F)c(F)c1.
What is the InChIKey of (1S)-1-[3-fluoro-4-[methyl(3,3,3-trifluoropropyl)amino]phenyl]ethanol?
The InChIKey is UYPHCBBNGIZBCR-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H15F4NO/c1-8(18)9-3-4-11(10(13)7-9)17(2)6-5-12(14,15)16/h3-4,7-8,18H,5-6H2,1-2H3/t8-/m0/s1.
What are the key properties of (1S)-1-[3-fluoro-4-[methyl(3,3,3-trifluoropropyl)amino]phenyl]ethanol?
(1S)-1-[3-fluoro-4-[methyl(3,3,3-trifluoropropyl)amino]phenyl]ethanol has a molecular weight of 265.25 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-fluoro-4-[methyl(3,3,3-trifluoropropyl)amino]phenyl]ethanol is sourced from PubChem (CID 79009341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).