[4-[[4-fluoro-2-(2,2,2-trifluoroethoxy)anilino]methyl]phenyl]methanol

C16H15F4NO2 — CID 110006660

IUPAC[4-[[4-fluoro-2-(2,2,2-trifluoroethoxy)anilino]methyl]phenyl]methanol
SMILESOCc1ccc(CNc2ccc(F)cc2OCC(F)(F)F)cc1
InChIInChI=1S/C16H15F4NO2/c17-13-5-6-14(15(7-13)23-10-16(18,19)20)21-8-11-1-3-12(9-22)4-2-11/h1-7,21-22H,8-10H2
InChIKeyFYLHDDMNKDTLRU-UHFFFAOYSA-N
MW329.29 g/mol
LogP3.87
Rot. Bonds6

About [4-[[4-fluoro-2-(2,2,2-trifluoroethoxy)anilino]methyl]phenyl]methanol

[4-[[4-fluoro-2-(2,2,2-trifluoroethoxy)anilino]methyl]phenyl]methanol (PubChem CID 110006660) has the molecular formula C16H15F4NO2 and a molecular weight of 329.29 g/mol. Its IUPAC name is [4-[[4-fluoro-2-(2,2,2-trifluoroethoxy)anilino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[4-[[4-fluoro-2-(2,2,2-trifluoroethoxy)anilino]methyl]phenyl]methanol
PubChem CID110006660
Molecular FormulaC16H15F4NO2
Molecular Weight329.29 g/mol
Exact Mass329.10
IUPAC Name[4-[[4-fluoro-2-(2,2,2-trifluoroethoxy)anilino]methyl]phenyl]methanol
SMILESOCc1ccc(CNc2ccc(F)cc2OCC(F)(F)F)cc1
InChIInChI=1S/C16H15F4NO2/c17-13-5-6-14(15(7-13)23-10-16(18,19)20)21-8-11-1-3-12(9-22)4-2-11/h1-7,21-22H,8-10H2
InChIKeyFYLHDDMNKDTLRU-UHFFFAOYSA-N
XLogP3.87
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.29
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(2-bromo-4-fluoroanilino)methyl]phenyl]methanol
CID 113365750
[4-[(2,5-difluoroanilino)methyl]phenyl]methanol
CID 110006440
[4-[[4-(2,2,2-trifluoroethoxy)anilino]methyl]phenyl]methanol
CID 110006461
2-[[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119185192
7-amino-N-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]heptanamide;hydrochloride
CID 119785431
2-[2-[(3,5-dimethylphenyl)methylamino]-5-fluorophenoxy]ethanol
CID 71862509
2-[4-fluoro-2-(2,2,2-trifluoroethoxy)anilino]-N-(3-phenylpropyl)acetamide
CID 86949426
4-fluoro-2-methoxy-N-[(4-trimethylsilylphenyl)methyl]aniline
CID 103437705
3-[[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]carbamoylamino]propanoic acid
CID 122084699
[4-[[2-chloro-4-(trifluoromethyl)anilino]methyl]phenyl]methanol
CID 115969616
2-bromo-4-[(2-ethoxy-4-fluoroanilino)methyl]phenol
CID 63047094
4-[(2-ethoxy-4-fluoroanilino)methyl]-2-methoxyphenol
CID 43730019

Frequently Asked Questions

What is the IUPAC name of [4-[[4-fluoro-2-(2,2,2-trifluoroethoxy)anilino]methyl]phenyl]methanol?
The IUPAC name of [4-[[4-fluoro-2-(2,2,2-trifluoroethoxy)anilino]methyl]phenyl]methanol (CID 110006660) is [4-[[4-fluoro-2-(2,2,2-trifluoroethoxy)anilino]methyl]phenyl]methanol.
What is the SMILES notation for [4-[[4-fluoro-2-(2,2,2-trifluoroethoxy)anilino]methyl]phenyl]methanol?
The canonical SMILES for [4-[[4-fluoro-2-(2,2,2-trifluoroethoxy)anilino]methyl]phenyl]methanol is OCc1ccc(CNc2ccc(F)cc2OCC(F)(F)F)cc1.
What is the InChIKey of [4-[[4-fluoro-2-(2,2,2-trifluoroethoxy)anilino]methyl]phenyl]methanol?
The InChIKey is FYLHDDMNKDTLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F4NO2/c17-13-5-6-14(15(7-13)23-10-16(18,19)20)21-8-11-1-3-12(9-22)4-2-11/h1-7,21-22H,8-10H2.
What are the key properties of [4-[[4-fluoro-2-(2,2,2-trifluoroethoxy)anilino]methyl]phenyl]methanol?
[4-[[4-fluoro-2-(2,2,2-trifluoroethoxy)anilino]methyl]phenyl]methanol has a molecular weight of 329.29 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-fluoro-2-(2,2,2-trifluoroethoxy)anilino]methyl]phenyl]methanol is sourced from PubChem (CID 110006660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).