[2,6-bis(trifluoromethyl)phenyl]methanol

C9H6F6O — CID 15346431

IUPAC[2,6-bis(trifluoromethyl)phenyl]methanol
SMILESOCc1c(C(F)(F)F)cccc1C(F)(F)F
InChIInChI=1S/C9H6F6O/c10-8(11,12)6-2-1-3-7(5(6)4-16)9(13,14)15/h1-3,16H,4H2
InChIKeyLDWKTCKZOJQPAC-UHFFFAOYSA-N
MW244.13 g/mol
LogP3.22
Rot. Bonds1

About [2,6-bis(trifluoromethyl)phenyl]methanol

[2,6-bis(trifluoromethyl)phenyl]methanol (PubChem CID 15346431) has the molecular formula C9H6F6O and a molecular weight of 244.13 g/mol. Its IUPAC name is [2,6-bis(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[2,6-bis(trifluoromethyl)phenyl]methanol
PubChem CID15346431
Molecular FormulaC9H6F6O
Molecular Weight244.13 g/mol
Exact Mass244.03
IUPAC Name[2,6-bis(trifluoromethyl)phenyl]methanol
SMILESOCc1c(C(F)(F)F)cccc1C(F)(F)F
InChIInChI=1S/C9H6F6O/c10-8(11,12)6-2-1-3-7(5(6)4-16)9(13,14)15/h1-3,16H,4H2
InChIKeyLDWKTCKZOJQPAC-UHFFFAOYSA-N
XLogP3.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.13
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2-[3-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)phenyl]methanol
CID 134622576
2-[2-chloro-6-(trifluoromethyl)phenyl]ethanol
CID 68633645
3-(hydroxymethyl)-4-(trifluoromethyl)benzene-1,2-diol
CID 84675775
2-bromo-1-[2-(hydroxymethyl)-3-(trifluoromethyl)phenyl]propan-1-one
CID 170838180
2-[[2-(hydroxymethyl)-3-(trifluoromethyl)anilino]methylidene]propanedinitrile
CID 168543492
2-[[2-(hydroxymethyl)-3-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile
CID 169339854
[2-amino-4-(trifluoromethyl)-3-pyridinyl]methanol
CID 118704003
[2,4-bis(trifluoromethyl)-3-pyridinyl]methanol
CID 131282988
[2-amino-3-chloro-6-(trifluoromethyl)phenyl]methanol
CID 119006450
2-[[2-carboxylato-6-(trifluoromethyl)phenyl]methyl]-3-(trifluoromethyl)benzoate
CID 157266168
3-[2-hydroxy-6-(trifluoromethyl)phenyl]propanal
CID 117310513
2-(3-aminopropyl)-3-(trifluoromethyl)phenol
CID 117311849

Frequently Asked Questions

What is the IUPAC name of [2,6-bis(trifluoromethyl)phenyl]methanol?
The IUPAC name of [2,6-bis(trifluoromethyl)phenyl]methanol (CID 15346431) is [2,6-bis(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for [2,6-bis(trifluoromethyl)phenyl]methanol?
The canonical SMILES for [2,6-bis(trifluoromethyl)phenyl]methanol is OCc1c(C(F)(F)F)cccc1C(F)(F)F.
What is the InChIKey of [2,6-bis(trifluoromethyl)phenyl]methanol?
The InChIKey is LDWKTCKZOJQPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F6O/c10-8(11,12)6-2-1-3-7(5(6)4-16)9(13,14)15/h1-3,16H,4H2.
What are the key properties of [2,6-bis(trifluoromethyl)phenyl]methanol?
[2,6-bis(trifluoromethyl)phenyl]methanol has a molecular weight of 244.13 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-bis(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 15346431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).