3-(trifluoromethyl)phenol;hydrochloride

C7H6ClF3O — CID 175833042

IUPAC3-(trifluoromethyl)phenol;hydrochloride
SMILESCl.Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C7H5F3O.ClH/c8-7(9,10)5-2-1-3-6(11)4-5;/h1-4,11H;1H
InChIKeyMHXMJHJRZFMTHC-UHFFFAOYSA-N
MW198.57 g/mol
LogP2.83
Rot. Bonds

About 3-(trifluoromethyl)phenol;hydrochloride

3-(trifluoromethyl)phenol;hydrochloride (PubChem CID 175833042) has the molecular formula C7H6ClF3O and a molecular weight of 198.57 g/mol. Its IUPAC name is 3-(trifluoromethyl)phenol;hydrochloride.

Molecular Properties

Compound Name3-(trifluoromethyl)phenol;hydrochloride
PubChem CID175833042
Molecular FormulaC7H6ClF3O
Molecular Weight198.57 g/mol
Exact Mass198.01
IUPAC Name3-(trifluoromethyl)phenol;hydrochloride
SMILESCl.Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C7H5F3O.ClH/c8-7(9,10)5-2-1-3-6(11)4-5;/h1-4,11H;1H
InChIKeyMHXMJHJRZFMTHC-UHFFFAOYSA-N
XLogP2.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.57
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(trifluoromethyl)phenol;hydrochloride 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

bis(5-methylcyclopenta-1,3-diene);bis(3-(trifluoromethyl)phenol);zirconium(2+)
CID 141004875
3-[3-(trifluoromethyl)phenoxy]phenol
CID 15667768
butan-2-amine;3-(trifluoromethyl)phenol
CID 160848796
N'-(3-hydroxybenzoyl)-3-(trifluoromethyl)benzohydrazide
CID 17393057
2,2-difluoro-2-(3-hydroxyphenyl)acetyl chloride
CID 105459733
4-[4-[3-(trifluoromethyl)phenyl]phenyl]phenol
CID 142750929
bis(2,7-ditert-butyl-9H-fluoren-9-ide);bis(3-(trifluoromethyl)phenol);zirconium(2+)
CID 22714801
3-[1,1-bis(3-hydroxyphenyl)ethyl]phenol
CID 20564680
1,1,2,2-tetrakis[3-(trifluoromethyl)phenyl]ethane-1,2-diol
CID 3857608
3-(2-amino-1,1-difluoro-2-methylpropyl)phenol
CID 105453347
2-fluoro-2-(3-hydroxyphenyl)propanal
CID 105433688
3-(1,1-difluoro-2-methylpropan-2-yl)phenol
CID 105442000

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)phenol;hydrochloride?
The IUPAC name of 3-(trifluoromethyl)phenol;hydrochloride (CID 175833042) is 3-(trifluoromethyl)phenol;hydrochloride.
What is the SMILES notation for 3-(trifluoromethyl)phenol;hydrochloride?
The canonical SMILES for 3-(trifluoromethyl)phenol;hydrochloride is Cl.Oc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-(trifluoromethyl)phenol;hydrochloride?
The InChIKey is MHXMJHJRZFMTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3O.ClH/c8-7(9,10)5-2-1-3-6(11)4-5;/h1-4,11H;1H.
What are the key properties of 3-(trifluoromethyl)phenol;hydrochloride?
3-(trifluoromethyl)phenol;hydrochloride has a molecular weight of 198.57 g/mol, XLogP of 2.83, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)phenol;hydrochloride is sourced from PubChem (CID 175833042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).