1-chloro-1-[2-fluoro-5-(trifluoromethyl)phenyl]propan-2-ol

C10H9ClF4O — CID 69345196

IUPAC1-chloro-1-[2-fluoro-5-(trifluoromethyl)phenyl]propan-2-ol
SMILESCC(O)C(Cl)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C10H9ClF4O/c1-5(16)9(11)7-4-6(10(13,14)15)2-3-8(7)12/h2-5,9,16H,1H3
InChIKeyPIKCYOATRHYMSO-UHFFFAOYSA-N
MW256.63 g/mol
LogP3.51
Rot. Bonds2

About 1-chloro-1-[2-fluoro-5-(trifluoromethyl)phenyl]propan-2-ol

1-chloro-1-[2-fluoro-5-(trifluoromethyl)phenyl]propan-2-ol (PubChem CID 69345196) has the molecular formula C10H9ClF4O and a molecular weight of 256.63 g/mol. Its IUPAC name is 1-chloro-1-[2-fluoro-5-(trifluoromethyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name1-chloro-1-[2-fluoro-5-(trifluoromethyl)phenyl]propan-2-ol
PubChem CID69345196
Molecular FormulaC10H9ClF4O
Molecular Weight256.63 g/mol
Exact Mass256.03
IUPAC Name1-chloro-1-[2-fluoro-5-(trifluoromethyl)phenyl]propan-2-ol
SMILESCC(O)C(Cl)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C10H9ClF4O/c1-5(16)9(11)7-4-6(10(13,14)15)2-3-8(7)12/h2-5,9,16H,1H3
InChIKeyPIKCYOATRHYMSO-UHFFFAOYSA-N
XLogP3.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.63
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S,2R)-1-amino-1-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methylpentan-2-ol;hydrochloride
CID 171161446
(3-fluoro-4-methylphenyl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanol
CID 107128571
(3-chloro-4-methylphenyl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanol
CID 107560100
(1S,2S)-1-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]propan-2-ol
CID 131404288
1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-sulfanylpropane-1,2-diol
CID 170820400
(1R,3R)-3-amino-1-[2-fluoro-5-(trifluoromethyl)phenyl]-4,4-dimethylpentan-1-ol
CID 171237638
(2S)-2-amino-1-[2-fluoro-5-(trifluoromethyl)phenyl]propane-1,3-diol
CID 162623169
(3,5-dimethylthiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanol
CID 81157519
(1R,3S)-3-amino-1-[2-fluoro-5-(trifluoromethyl)phenyl]-4,4-dimethylpentan-1-ol;hydrochloride
CID 171236723
(1S)-2,2,2-trifluoro-1-[2-fluoro-5-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 171249579
(1R)-2,2-difluoro-1-[2-fluoro-5-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 171242848
(1R,3R)-3-amino-4,4,4-trifluoro-1-[2-fluoro-5-(trifluoromethyl)phenyl]butan-1-ol
CID 171237792

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1-[2-fluoro-5-(trifluoromethyl)phenyl]propan-2-ol?
The IUPAC name of 1-chloro-1-[2-fluoro-5-(trifluoromethyl)phenyl]propan-2-ol (CID 69345196) is 1-chloro-1-[2-fluoro-5-(trifluoromethyl)phenyl]propan-2-ol.
What is the SMILES notation for 1-chloro-1-[2-fluoro-5-(trifluoromethyl)phenyl]propan-2-ol?
The canonical SMILES for 1-chloro-1-[2-fluoro-5-(trifluoromethyl)phenyl]propan-2-ol is CC(O)C(Cl)c1cc(C(F)(F)F)ccc1F.
What is the InChIKey of 1-chloro-1-[2-fluoro-5-(trifluoromethyl)phenyl]propan-2-ol?
The InChIKey is PIKCYOATRHYMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF4O/c1-5(16)9(11)7-4-6(10(13,14)15)2-3-8(7)12/h2-5,9,16H,1H3.
What are the key properties of 1-chloro-1-[2-fluoro-5-(trifluoromethyl)phenyl]propan-2-ol?
1-chloro-1-[2-fluoro-5-(trifluoromethyl)phenyl]propan-2-ol has a molecular weight of 256.63 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-[2-fluoro-5-(trifluoromethyl)phenyl]propan-2-ol is sourced from PubChem (CID 69345196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).