[3-chloro-2,5-bis(trifluoromethyl)phenyl]methanol

C9H5ClF6O — CID 119020777

IUPAC[3-chloro-2,5-bis(trifluoromethyl)phenyl]methanol
SMILESOCc1cc(C(F)(F)F)cc(Cl)c1C(F)(F)F
InChIInChI=1S/C9H5ClF6O/c10-6-2-5(8(11,12)13)1-4(3-17)7(6)9(14,15)16/h1-2,17H,3H2
InChIKeyBFZXKVUXDFXFMG-UHFFFAOYSA-N
MW278.58 g/mol
LogP3.87
Rot. Bonds1

About [3-chloro-2,5-bis(trifluoromethyl)phenyl]methanol

[3-chloro-2,5-bis(trifluoromethyl)phenyl]methanol (PubChem CID 119020777) has the molecular formula C9H5ClF6O and a molecular weight of 278.58 g/mol. Its IUPAC name is [3-chloro-2,5-bis(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[3-chloro-2,5-bis(trifluoromethyl)phenyl]methanol
PubChem CID119020777
Molecular FormulaC9H5ClF6O
Molecular Weight278.58 g/mol
Exact Mass277.99
IUPAC Name[3-chloro-2,5-bis(trifluoromethyl)phenyl]methanol
SMILESOCc1cc(C(F)(F)F)cc(Cl)c1C(F)(F)F
InChIInChI=1S/C9H5ClF6O/c10-6-2-5(8(11,12)13)1-4(3-17)7(6)9(14,15)16/h1-2,17H,3H2
InChIKeyBFZXKVUXDFXFMG-UHFFFAOYSA-N
XLogP3.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.58
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze [3-chloro-2,5-bis(trifluoromethyl)phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-amino-3-chloro-5-(trifluoromethyl)phenyl]methanol
CID 119020502
[5-amino-3-chloro-2-(trifluoromethyl)phenyl]methanol
CID 131094748
[1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-2,5-dimethylpyrrol-3-yl]methanol
CID 170871674
2-(aminomethyl)-6-chloro-4-(trifluoromethyl)phenol
CID 84690065
[2-fluoro-3-methyl-5-(trifluoromethyl)phenyl]methanol
CID 131534108
2-(hydroxymethyl)-4,6-bis(trifluoromethyl)phenol
CID 134638836
3-(chloromethyl)-2,5-bis(trifluoromethyl)phenol
CID 134639229
2-[3-chloro-2-hydroxy-5-(trifluoromethyl)phenyl]acetonitrile
CID 84797705
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]propane-1,2,3-triol
CID 170818684
3-chloro-2-(2-hydroxypropan-2-yl)-5-(trifluoromethyl)phenol
CID 84708305
[2-fluoro-3-(hydroxymethyl)-5-(trifluoromethyl)phenyl]boronic acid
CID 164891316
[2,6-dichloro-4-(trifluoromethyl)phenyl]boranuide
CID 172878584

Frequently Asked Questions

What is the IUPAC name of [3-chloro-2,5-bis(trifluoromethyl)phenyl]methanol?
The IUPAC name of [3-chloro-2,5-bis(trifluoromethyl)phenyl]methanol (CID 119020777) is [3-chloro-2,5-bis(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for [3-chloro-2,5-bis(trifluoromethyl)phenyl]methanol?
The canonical SMILES for [3-chloro-2,5-bis(trifluoromethyl)phenyl]methanol is OCc1cc(C(F)(F)F)cc(Cl)c1C(F)(F)F.
What is the InChIKey of [3-chloro-2,5-bis(trifluoromethyl)phenyl]methanol?
The InChIKey is BFZXKVUXDFXFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClF6O/c10-6-2-5(8(11,12)13)1-4(3-17)7(6)9(14,15)16/h1-2,17H,3H2.
What are the key properties of [3-chloro-2,5-bis(trifluoromethyl)phenyl]methanol?
[3-chloro-2,5-bis(trifluoromethyl)phenyl]methanol has a molecular weight of 278.58 g/mol, XLogP of 3.87, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-2,5-bis(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 119020777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).