[3-fluoro-2-[propyl(2,2,2-trifluoroethyl)amino]phenyl]methanol

C12H15F4NO — CID 114067470

IUPAC[3-fluoro-2-[propyl(2,2,2-trifluoroethyl)amino]phenyl]methanol
SMILESCCCN(CC(F)(F)F)c1c(F)cccc1CO
InChIInChI=1S/C12H15F4NO/c1-2-6-17(8-12(14,15)16)11-9(7-18)4-3-5-10(11)13/h3-5,18H,2,6-8H2,1H3
InChIKeyAFEWZKYQRQZGGU-UHFFFAOYSA-N
MW265.25 g/mol
LogP3.10
Rot. Bonds5

About [3-fluoro-2-[propyl(2,2,2-trifluoroethyl)amino]phenyl]methanol

[3-fluoro-2-[propyl(2,2,2-trifluoroethyl)amino]phenyl]methanol (PubChem CID 114067470) has the molecular formula C12H15F4NO and a molecular weight of 265.25 g/mol. Its IUPAC name is [3-fluoro-2-[propyl(2,2,2-trifluoroethyl)amino]phenyl]methanol.

Molecular Properties

Compound Name[3-fluoro-2-[propyl(2,2,2-trifluoroethyl)amino]phenyl]methanol
PubChem CID114067470
Molecular FormulaC12H15F4NO
Molecular Weight265.25 g/mol
Exact Mass265.11
IUPAC Name[3-fluoro-2-[propyl(2,2,2-trifluoroethyl)amino]phenyl]methanol
SMILESCCCN(CC(F)(F)F)c1c(F)cccc1CO
InChIInChI=1S/C12H15F4NO/c1-2-6-17(8-12(14,15)16)11-9(7-18)4-3-5-10(11)13/h3-5,18H,2,6-8H2,1H3
InChIKeyAFEWZKYQRQZGGU-UHFFFAOYSA-N
XLogP3.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.25
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-2-[propyl(2,2,2-trifluoroethyl)amino]benzaldehyde
CID 114067083
[2-[2-ethoxyethyl(ethyl)amino]-3-fluorophenyl]methanol
CID 114067502
1-[2-fluoro-6-[propyl(2,2,2-trifluoroethyl)amino]phenyl]ethanone
CID 55010180
(1S)-1-[2-fluoro-6-[propyl(2,2,2-trifluoroethyl)amino]phenyl]ethanol
CID 55183941
2-fluoro-6-[propyl(2,2,2-trifluoroethyl)amino]benzenecarboximidamide
CID 79519200
3-chloro-2-N-propyl-2-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine
CID 55011400
3-amino-2-[propyl(2,2,2-trifluoroethyl)amino]benzoic acid
CID 112578615
2-(ethylaminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)aniline
CID 55008675
2-(methylaminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)aniline
CID 55008622
4-(aminomethyl)-2,3-difluoro-N-propyl-N-(2,2,2-trifluoroethyl)aniline
CID 107932858
3-(2,6-difluoro-N-propylanilino)propanoic acid
CID 82317826
2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]phenol
CID 78924660

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-2-[propyl(2,2,2-trifluoroethyl)amino]phenyl]methanol?
The IUPAC name of [3-fluoro-2-[propyl(2,2,2-trifluoroethyl)amino]phenyl]methanol (CID 114067470) is [3-fluoro-2-[propyl(2,2,2-trifluoroethyl)amino]phenyl]methanol.
What is the SMILES notation for [3-fluoro-2-[propyl(2,2,2-trifluoroethyl)amino]phenyl]methanol?
The canonical SMILES for [3-fluoro-2-[propyl(2,2,2-trifluoroethyl)amino]phenyl]methanol is CCCN(CC(F)(F)F)c1c(F)cccc1CO.
What is the InChIKey of [3-fluoro-2-[propyl(2,2,2-trifluoroethyl)amino]phenyl]methanol?
The InChIKey is AFEWZKYQRQZGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F4NO/c1-2-6-17(8-12(14,15)16)11-9(7-18)4-3-5-10(11)13/h3-5,18H,2,6-8H2,1H3.
What are the key properties of [3-fluoro-2-[propyl(2,2,2-trifluoroethyl)amino]phenyl]methanol?
[3-fluoro-2-[propyl(2,2,2-trifluoroethyl)amino]phenyl]methanol has a molecular weight of 265.25 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-2-[propyl(2,2,2-trifluoroethyl)amino]phenyl]methanol is sourced from PubChem (CID 114067470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).