1-[2,6-difluoro-4-(trifluoromethyl)phenyl]prop-2-yn-1-ol

C10H5F5O — CID 18175677

IUPAC1-[2,6-difluoro-4-(trifluoromethyl)phenyl]prop-2-yn-1-ol
SMILESC#CC(O)c1c(F)cc(C(F)(F)F)cc1F
InChIInChI=1S/C10H5F5O/c1-2-8(16)9-6(11)3-5(4-7(9)12)10(13,14)15/h1,3-4,8,16H
InChIKeyAGKQXUUMJNNUGD-UHFFFAOYSA-N
MW236.14 g/mol
LogP2.65
Rot. Bonds1

About 1-[2,6-difluoro-4-(trifluoromethyl)phenyl]prop-2-yn-1-ol

1-[2,6-difluoro-4-(trifluoromethyl)phenyl]prop-2-yn-1-ol (PubChem CID 18175677) has the molecular formula C10H5F5O and a molecular weight of 236.14 g/mol. Its IUPAC name is 1-[2,6-difluoro-4-(trifluoromethyl)phenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name1-[2,6-difluoro-4-(trifluoromethyl)phenyl]prop-2-yn-1-ol
PubChem CID18175677
Molecular FormulaC10H5F5O
Molecular Weight236.14 g/mol
Exact Mass236.03
IUPAC Name1-[2,6-difluoro-4-(trifluoromethyl)phenyl]prop-2-yn-1-ol
SMILESC#CC(O)c1c(F)cc(C(F)(F)F)cc1F
InChIInChI=1S/C10H5F5O/c1-2-8(16)9-6(11)3-5(4-7(9)12)10(13,14)15/h1,3-4,8,16H
InChIKeyAGKQXUUMJNNUGD-UHFFFAOYSA-N
XLogP2.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.14
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-[2,6-difluoro-4-(trifluoromethyl)phenyl]prop-2-yn-1-ol 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

1-[2-bromo-5-(trifluoromethyl)phenyl]prop-2-yn-1-ol
CID 115811105
(4S)-4-amino-4-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]butan-1-ol;hydrochloride
CID 171235804
(1S,2R)-1-amino-1-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]pentan-2-ol
CID 171271722
(1S,2R)-1-amino-1-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]-3-methylpentan-2-ol;hydrochloride
CID 171271721
(1S)-1-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine;hydrochloride
CID 171245009
2-bromo-1,3-difluoro-5-(trifluoromethyl)benzene
CID 2778983
(1S)-3,3-difluoro-1-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]propan-1-amine
CID 171313374
(1S)-4,4,4-trifluoro-1-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]butan-1-amine;hydrochloride
CID 171235772
(1S)-1-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]prop-2-en-1-amine;hydrochloride
CID 171235756
(1S)-1-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]pentane-1,5-diamine
CID 171235749
(1R)-1-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]-3-methylbutan-1-amine
CID 171216131
2-chloro-1-(difluoromethyl)-3-fluoro-5-(trifluoromethyl)benzene
CID 171009202

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-difluoro-4-(trifluoromethyl)phenyl]prop-2-yn-1-ol?
The IUPAC name of 1-[2,6-difluoro-4-(trifluoromethyl)phenyl]prop-2-yn-1-ol (CID 18175677) is 1-[2,6-difluoro-4-(trifluoromethyl)phenyl]prop-2-yn-1-ol.
What is the SMILES notation for 1-[2,6-difluoro-4-(trifluoromethyl)phenyl]prop-2-yn-1-ol?
The canonical SMILES for 1-[2,6-difluoro-4-(trifluoromethyl)phenyl]prop-2-yn-1-ol is C#CC(O)c1c(F)cc(C(F)(F)F)cc1F.
What is the InChIKey of 1-[2,6-difluoro-4-(trifluoromethyl)phenyl]prop-2-yn-1-ol?
The InChIKey is AGKQXUUMJNNUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F5O/c1-2-8(16)9-6(11)3-5(4-7(9)12)10(13,14)15/h1,3-4,8,16H.
What are the key properties of 1-[2,6-difluoro-4-(trifluoromethyl)phenyl]prop-2-yn-1-ol?
1-[2,6-difluoro-4-(trifluoromethyl)phenyl]prop-2-yn-1-ol has a molecular weight of 236.14 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 1-[2,6-difluoro-4-(trifluoromethyl)phenyl]prop-2-yn-1-ol is sourced from PubChem (CID 18175677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).