3-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropan-1-ol

C11H12F4O2 — CID 138985656

IUPAC3-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropan-1-ol
SMILESCC(CO)Cc1ccc(OC(F)(F)F)c(F)c1
InChIInChI=1S/C11H12F4O2/c1-7(6-16)4-8-2-3-10(9(12)5-8)17-11(13,14)15/h2-3,5,7,16H,4,6H2,1H3
InChIKeyYGSRZVXHECUHNL-UHFFFAOYSA-N
MW252.21 g/mol
LogP2.90
Rot. Bonds4

About 3-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropan-1-ol

3-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropan-1-ol (PubChem CID 138985656) has the molecular formula C11H12F4O2 and a molecular weight of 252.21 g/mol. Its IUPAC name is 3-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropan-1-ol
PubChem CID138985656
Molecular FormulaC11H12F4O2
Molecular Weight252.21 g/mol
Exact Mass252.08
IUPAC Name3-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropan-1-ol
SMILESCC(CO)Cc1ccc(OC(F)(F)F)c(F)c1
InChIInChI=1S/C11H12F4O2/c1-7(6-16)4-8-2-3-10(9(12)5-8)17-11(13,14)15/h2-3,5,7,16H,4,6H2,1H3
InChIKeyYGSRZVXHECUHNL-UHFFFAOYSA-N
XLogP2.90
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.21
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-[3-fluoro-4-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride
CID 170893673
1-[3-fluoro-4-(trifluoromethoxy)phenyl]butan-2-amine
CID 170889505
1-fluoro-4-(2-methylbutyl)-2-(trifluoromethoxy)benzene
CID 70852240
3-(3-fluoro-4-methylphenyl)-2-methylpropan-1-ol
CID 107129475
1-[4-fluoro-3-(trifluoromethoxy)phenyl]propan-2-amine
CID 170891288
1-[3-fluoro-4-(trifluoromethoxy)phenyl]ethanamine
CID 118989596
ethyl 3-[3-fluoro-4-(trifluoromethoxy)phenyl]propanoate
CID 122642075
2-fluoro-1-methoxy-4-[(2R)-2-methylpentyl]benzene
CID 59468307
1-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-methylbutan-1-one
CID 146009340
2-amino-3-[3-chloro-4-(trifluoromethoxy)phenyl]propan-1-ol;hydrochloride
CID 170892599
(2S)-2-amino-3-[3-fluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]propanoic acid
CID 175817346
(3-fluoro-4-propan-2-yloxyphenyl)methanol
CID 28945931

Frequently Asked Questions

What is the IUPAC name of 3-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropan-1-ol?
The IUPAC name of 3-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropan-1-ol (CID 138985656) is 3-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropan-1-ol?
The canonical SMILES for 3-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropan-1-ol is CC(CO)Cc1ccc(OC(F)(F)F)c(F)c1.
What is the InChIKey of 3-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropan-1-ol?
The InChIKey is YGSRZVXHECUHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F4O2/c1-7(6-16)4-8-2-3-10(9(12)5-8)17-11(13,14)15/h2-3,5,7,16H,4,6H2,1H3.
What are the key properties of 3-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropan-1-ol?
3-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropan-1-ol has a molecular weight of 252.21 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-methylpropan-1-ol is sourced from PubChem (CID 138985656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).