1-(3-chloro-2-methylphenyl)-5,5,5-trifluoropentan-1-ol

C12H14ClF3O — CID 107103457

IUPAC1-(3-chloro-2-methylphenyl)-5,5,5-trifluoropentan-1-ol
SMILESCc1c(Cl)cccc1C(O)CCCC(F)(F)F
InChIInChI=1S/C12H14ClF3O/c1-8-9(4-2-5-10(8)13)11(17)6-3-7-12(14,15)16/h2,4-5,11,17H,3,6-7H2,1H3
InChIKeyHHHFFYDRQZOQHB-UHFFFAOYSA-N
MW266.69 g/mol
LogP4.41
Rot. Bonds4

About 1-(3-chloro-2-methylphenyl)-5,5,5-trifluoropentan-1-ol

1-(3-chloro-2-methylphenyl)-5,5,5-trifluoropentan-1-ol (PubChem CID 107103457) has the molecular formula C12H14ClF3O and a molecular weight of 266.69 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-5,5,5-trifluoropentan-1-ol.

Molecular Properties

Compound Name1-(3-chloro-2-methylphenyl)-5,5,5-trifluoropentan-1-ol
PubChem CID107103457
Molecular FormulaC12H14ClF3O
Molecular Weight266.69 g/mol
Exact Mass266.07
IUPAC Name1-(3-chloro-2-methylphenyl)-5,5,5-trifluoropentan-1-ol
SMILESCc1c(Cl)cccc1C(O)CCCC(F)(F)F
InChIInChI=1S/C12H14ClF3O/c1-8-9(4-2-5-10(8)13)11(17)6-3-7-12(14,15)16/h2,4-5,11,17H,3,6-7H2,1H3
InChIKeyHHHFFYDRQZOQHB-UHFFFAOYSA-N
XLogP4.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.69
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-2-methylphenyl)-5,5,5-trifluoropentan-1-ol
CID 115828367
1-(3-chloro-2-methylphenyl)-2-(2,6-dichlorophenyl)ethanol
CID 107103304
5,5,5-trifluoro-1-(2-fluorophenyl)pentan-1-ol
CID 115515409
1-(2-bromo-3-fluorophenyl)-5,5,5-trifluoropentan-1-ol
CID 115828339
1-(3-chloro-2-methylphenyl)-2-cyclopropylethanol
CID 107103370
1-(3-chloro-2-methylphenyl)-3-(4-methoxyphenyl)propan-1-ol
CID 107103367
1-(3-chloro-2-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 107103532
1-(2,3-dimethoxyphenyl)-5,5,5-trifluoropentan-1-ol
CID 115515400
1-(2,3-dimethylphenyl)-5,5,5-trifluoropentan-1-amine
CID 105024239
2-(4-bromo-2-fluorophenyl)-1-(3-chloro-2-methylphenyl)ethanol
CID 107103323
5,5,5-trifluoro-1-[2-(trifluoromethoxy)phenyl]pentan-1-ol
CID 115515453
3-chloro-1-(3-chloro-2-methylphenyl)propane-1,2-diol
CID 171861580

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-5,5,5-trifluoropentan-1-ol?
The IUPAC name of 1-(3-chloro-2-methylphenyl)-5,5,5-trifluoropentan-1-ol (CID 107103457) is 1-(3-chloro-2-methylphenyl)-5,5,5-trifluoropentan-1-ol.
What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-5,5,5-trifluoropentan-1-ol?
The canonical SMILES for 1-(3-chloro-2-methylphenyl)-5,5,5-trifluoropentan-1-ol is Cc1c(Cl)cccc1C(O)CCCC(F)(F)F.
What is the InChIKey of 1-(3-chloro-2-methylphenyl)-5,5,5-trifluoropentan-1-ol?
The InChIKey is HHHFFYDRQZOQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF3O/c1-8-9(4-2-5-10(8)13)11(17)6-3-7-12(14,15)16/h2,4-5,11,17H,3,6-7H2,1H3.
What are the key properties of 1-(3-chloro-2-methylphenyl)-5,5,5-trifluoropentan-1-ol?
1-(3-chloro-2-methylphenyl)-5,5,5-trifluoropentan-1-ol has a molecular weight of 266.69 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylphenyl)-5,5,5-trifluoropentan-1-ol is sourced from PubChem (CID 107103457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).