[2-fluoro-5-(2,2,2-trifluoroethyl)phenyl]methanol

C9H8F4O — CID 178139316

IUPAC[2-fluoro-5-(2,2,2-trifluoroethyl)phenyl]methanol
SMILESOCc1cc(CC(F)(F)F)ccc1F
InChIInChI=1S/C9H8F4O/c10-8-2-1-6(3-7(8)5-14)4-9(11,12)13/h1-3,14H,4-5H2
InChIKeyURBYTRMJBXZAET-UHFFFAOYSA-N
MW208.15 g/mol
LogP2.42
Rot. Bonds2

About [2-fluoro-5-(2,2,2-trifluoroethyl)phenyl]methanol

[2-fluoro-5-(2,2,2-trifluoroethyl)phenyl]methanol (PubChem CID 178139316) has the molecular formula C9H8F4O and a molecular weight of 208.15 g/mol. Its IUPAC name is [2-fluoro-5-(2,2,2-trifluoroethyl)phenyl]methanol.

Molecular Properties

Compound Name[2-fluoro-5-(2,2,2-trifluoroethyl)phenyl]methanol
PubChem CID178139316
Molecular FormulaC9H8F4O
Molecular Weight208.15 g/mol
Exact Mass208.05
IUPAC Name[2-fluoro-5-(2,2,2-trifluoroethyl)phenyl]methanol
SMILESOCc1cc(CC(F)(F)F)ccc1F
InChIInChI=1S/C9H8F4O/c10-8-2-1-6(3-7(8)5-14)4-9(11,12)13/h1-3,14H,4-5H2
InChIKeyURBYTRMJBXZAET-UHFFFAOYSA-N
XLogP2.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.15
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[4-fluoro-3-(hydroxymethyl)phenyl]-2,2-dimethylpropanoic acid
CID 117325421
[5-(aminooxymethyl)-2-fluorophenyl]methanol
CID 117276845
2-[2-fluoro-4-(2,2,2-trifluoroethyl)phenyl]acetaldehyde
CID 122575553
4-(hydroxymethyl)-2-(2,2,2-trifluoroethyl)benzoic acid
CID 175262025
4-(2,2,2-trifluoroethyl)benzene-1,2-diamine
CID 67818172
[4-fluoro-3-(isocyanomethyl)phenyl]methanol
CID 140807490
(2-fluoro-5-prop-1-ynylphenyl)methanol
CID 67687756
[2-fluoro-5-(hydroxymethyl)phenyl]methanesulfinate
CID 174834928
2,5-bis(2,2,2-trifluoroethyl)benzoic acid
CID 87232207
(2R)-2-amino-2-[4-fluoro-3-(hydroxymethyl)phenyl]propan-1-ol
CID 55271791
(3,4-difluorophenyl)methanol
CID 522833
[2-fluoro-5-[2-(trifluoromethyl)phenyl]phenyl]methanol
CID 134628152

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-5-(2,2,2-trifluoroethyl)phenyl]methanol?
The IUPAC name of [2-fluoro-5-(2,2,2-trifluoroethyl)phenyl]methanol (CID 178139316) is [2-fluoro-5-(2,2,2-trifluoroethyl)phenyl]methanol.
What is the SMILES notation for [2-fluoro-5-(2,2,2-trifluoroethyl)phenyl]methanol?
The canonical SMILES for [2-fluoro-5-(2,2,2-trifluoroethyl)phenyl]methanol is OCc1cc(CC(F)(F)F)ccc1F.
What is the InChIKey of [2-fluoro-5-(2,2,2-trifluoroethyl)phenyl]methanol?
The InChIKey is URBYTRMJBXZAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F4O/c10-8-2-1-6(3-7(8)5-14)4-9(11,12)13/h1-3,14H,4-5H2.
What are the key properties of [2-fluoro-5-(2,2,2-trifluoroethyl)phenyl]methanol?
[2-fluoro-5-(2,2,2-trifluoroethyl)phenyl]methanol has a molecular weight of 208.15 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-5-(2,2,2-trifluoroethyl)phenyl]methanol is sourced from PubChem (CID 178139316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).