1-[2-fluoro-5-(trifluoromethyl)anilino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

C14H19F4NO2 — CID 63036846

IUPAC1-[2-fluoro-5-(trifluoromethyl)anilino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
SMILESCC(C)(C)OCC(O)CNc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C14H19F4NO2/c1-13(2,3)21-8-10(20)7-19-12-6-9(14(16,17)18)4-5-11(12)15/h4-6,10,19-20H,7-8H2,1-3H3
InChIKeyWUQRETQPTRKCOK-UHFFFAOYSA-N
MW309.30 g/mol
LogP3.43
Rot. Bonds5

About 1-[2-fluoro-5-(trifluoromethyl)anilino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

1-[2-fluoro-5-(trifluoromethyl)anilino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (PubChem CID 63036846) has the molecular formula C14H19F4NO2 and a molecular weight of 309.30 g/mol. Its IUPAC name is 1-[2-fluoro-5-(trifluoromethyl)anilino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.

Molecular Properties

Compound Name1-[2-fluoro-5-(trifluoromethyl)anilino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
PubChem CID63036846
Molecular FormulaC14H19F4NO2
Molecular Weight309.30 g/mol
Exact Mass309.14
IUPAC Name1-[2-fluoro-5-(trifluoromethyl)anilino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
SMILESCC(C)(C)OCC(O)CNc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C14H19F4NO2/c1-13(2,3)21-8-10(20)7-19-12-6-9(14(16,17)18)4-5-11(12)15/h4-6,10,19-20H,7-8H2,1-3H3
InChIKeyWUQRETQPTRKCOK-UHFFFAOYSA-N
XLogP3.43
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.30
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2-difluoroethyl)-2-fluoro-5-(trifluoromethyl)aniline
CID 63037190
N-(2-ethylbutyl)-2-fluoro-5-(trifluoromethyl)aniline
CID 63462098
1-(2-bromo-4-chloroanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 81271117
1-(5-bromo-4-fluoro-2-methylanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 107591853
1-[2-fluoro-4-(trifluoromethyl)anilino]pentan-2-ol
CID 113236994
2-fluoro-N-prop-2-ynyl-5-(trifluoromethyl)aniline
CID 63036318
1-(2-bromoanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 60896653
1-(2,6-dichloro-4-fluoroanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 83077931
tert-butyl N-[2-[2-fluoro-5-(trifluoromethyl)anilino]propyl]carbamate
CID 103389891
1-(2-fluoro-5-methylanilino)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989282
(2S)-1-[2-methyl-5-(trifluoromethyl)anilino]propan-2-ol
CID 106932273
1-(3,5-dichloroanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 60897711

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-5-(trifluoromethyl)anilino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The IUPAC name of 1-[2-fluoro-5-(trifluoromethyl)anilino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (CID 63036846) is 1-[2-fluoro-5-(trifluoromethyl)anilino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.
What is the SMILES notation for 1-[2-fluoro-5-(trifluoromethyl)anilino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The canonical SMILES for 1-[2-fluoro-5-(trifluoromethyl)anilino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is CC(C)(C)OCC(O)CNc1cc(C(F)(F)F)ccc1F.
What is the InChIKey of 1-[2-fluoro-5-(trifluoromethyl)anilino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The InChIKey is WUQRETQPTRKCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F4NO2/c1-13(2,3)21-8-10(20)7-19-12-6-9(14(16,17)18)4-5-11(12)15/h4-6,10,19-20H,7-8H2,1-3H3.
What are the key properties of 1-[2-fluoro-5-(trifluoromethyl)anilino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
1-[2-fluoro-5-(trifluoromethyl)anilino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol has a molecular weight of 309.30 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-5-(trifluoromethyl)anilino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is sourced from PubChem (CID 63036846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).