[2-fluoro-3-methyl-5-(trifluoromethyl)phenyl]methanol

C9H8F4O — CID 131534108

IUPAC[2-fluoro-3-methyl-5-(trifluoromethyl)phenyl]methanol
SMILESCc1cc(C(F)(F)F)cc(CO)c1F
InChIInChI=1S/C9H8F4O/c1-5-2-7(9(11,12)13)3-6(4-14)8(5)10/h2-3,14H,4H2,1H3
InChIKeyDGQMIHUQHIQFJR-UHFFFAOYSA-N
MW208.15 g/mol
LogP2.65
Rot. Bonds1

About [2-fluoro-3-methyl-5-(trifluoromethyl)phenyl]methanol

[2-fluoro-3-methyl-5-(trifluoromethyl)phenyl]methanol (PubChem CID 131534108) has the molecular formula C9H8F4O and a molecular weight of 208.15 g/mol. Its IUPAC name is [2-fluoro-3-methyl-5-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[2-fluoro-3-methyl-5-(trifluoromethyl)phenyl]methanol
PubChem CID131534108
Molecular FormulaC9H8F4O
Molecular Weight208.15 g/mol
Exact Mass208.05
IUPAC Name[2-fluoro-3-methyl-5-(trifluoromethyl)phenyl]methanol
SMILESCc1cc(C(F)(F)F)cc(CO)c1F
InChIInChI=1S/C9H8F4O/c1-5-2-7(9(11,12)13)3-6(4-14)8(5)10/h2-3,14H,4H2,1H3
InChIKeyDGQMIHUQHIQFJR-UHFFFAOYSA-N
XLogP2.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.15
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2-fluoro-3-(hydroxymethyl)-5-(trifluoromethyl)phenyl]boronic acid
CID 164891316
[4-[3,5-bis(trifluoromethyl)phenyl]-2-methylphenyl]methanol
CID 89357054
2-(hydroxymethyl)-4,6-bis(trifluoromethyl)phenol
CID 134638836
[3-chloro-2,5-bis(trifluoromethyl)phenyl]methanol
CID 119020777
[2-(2-methylphenyl)-5-(trifluoromethyl)phenyl]methanol
CID 172649051
[2-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]methanol
CID 22280004
[5-(2-fluoropropan-2-yl)-2-methylphenyl]methanol
CID 84658586
[2-amino-3-chloro-5-(trifluoromethyl)phenyl]methanol
CID 119020502
[3,5-dimethyl-2-(trifluoromethyl)phenyl]methanol
CID 171016775
[2,3,5-trifluoro-4-(trifluoromethyl)phenyl]methanol
CID 131300791
[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,5-dimethylpyrrol-3-yl]methanol
CID 170871674
4-[1,1,1,3,3,3-hexafluoro-2-[4-hydroxy-3-(hydroxymethyl)-5-methylphenyl]propan-2-yl]-2,6-dimethylphenol
CID 145189895

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-3-methyl-5-(trifluoromethyl)phenyl]methanol?
The IUPAC name of [2-fluoro-3-methyl-5-(trifluoromethyl)phenyl]methanol (CID 131534108) is [2-fluoro-3-methyl-5-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for [2-fluoro-3-methyl-5-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for [2-fluoro-3-methyl-5-(trifluoromethyl)phenyl]methanol is Cc1cc(C(F)(F)F)cc(CO)c1F.
What is the InChIKey of [2-fluoro-3-methyl-5-(trifluoromethyl)phenyl]methanol?
The InChIKey is DGQMIHUQHIQFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F4O/c1-5-2-7(9(11,12)13)3-6(4-14)8(5)10/h2-3,14H,4H2,1H3.
What are the key properties of [2-fluoro-3-methyl-5-(trifluoromethyl)phenyl]methanol?
[2-fluoro-3-methyl-5-(trifluoromethyl)phenyl]methanol has a molecular weight of 208.15 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-3-methyl-5-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 131534108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).