1-(2,3-dichlorophenyl)-3-(trifluoromethyl)cyclohexan-1-ol

C13H13Cl2F3O — CID 64757033

IUPAC1-(2,3-dichlorophenyl)-3-(trifluoromethyl)cyclohexan-1-ol
SMILESOC1(c2cccc(Cl)c2Cl)CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H13Cl2F3O/c14-10-5-1-4-9(11(10)15)12(19)6-2-3-8(7-12)13(16,17)18/h1,4-5,8,19H,2-3,6-7H2
InChIKeyYFBZYYNWYLZIKA-UHFFFAOYSA-N
MW313.15 g/mol
LogP4.93
Rot. Bonds1

About 1-(2,3-dichlorophenyl)-3-(trifluoromethyl)cyclohexan-1-ol

1-(2,3-dichlorophenyl)-3-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 64757033) has the molecular formula C13H13Cl2F3O and a molecular weight of 313.15 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-3-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-3-(trifluoromethyl)cyclohexan-1-ol
PubChem CID64757033
Molecular FormulaC13H13Cl2F3O
Molecular Weight313.15 g/mol
Exact Mass312.03
IUPAC Name1-(2,3-dichlorophenyl)-3-(trifluoromethyl)cyclohexan-1-ol
SMILESOC1(c2cccc(Cl)c2Cl)CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H13Cl2F3O/c14-10-5-1-4-9(11(10)15)12(19)6-2-3-8(7-12)13(16,17)18/h1,4-5,8,19H,2-3,6-7H2
InChIKeyYFBZYYNWYLZIKA-UHFFFAOYSA-N
XLogP4.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.15
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-fluorophenyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 64759665
1-(3-fluorophenyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 64759467
1-(2-propoxyphenyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 104658752
1-(4-fluorophenyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 64757037
1-(5-bromo-2-fluorophenyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 79743510
1-(4-chloro-1-methylpyrazol-5-yl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 114636111
1-(2-chlorophenyl)-3-cyclopropylcyclohexan-1-ol
CID 64625455
(1R,5S)-3-(2,3-dichlorophenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 25132531
6-(2,3-dichlorophenyl)bicyclo[3.1.0]hexan-6-ol
CID 79330835
1-(7-fluoro-1-benzofuran-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 114723916
1-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 64757432
1-quinolin-7-yl-3-(trifluoromethyl)cyclohexan-1-ol
CID 81197260

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-3-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 1-(2,3-dichlorophenyl)-3-(trifluoromethyl)cyclohexan-1-ol (CID 64757033) is 1-(2,3-dichlorophenyl)-3-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-3-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 1-(2,3-dichlorophenyl)-3-(trifluoromethyl)cyclohexan-1-ol is OC1(c2cccc(Cl)c2Cl)CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-(2,3-dichlorophenyl)-3-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is YFBZYYNWYLZIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2F3O/c14-10-5-1-4-9(11(10)15)12(19)6-2-3-8(7-12)13(16,17)18/h1,4-5,8,19H,2-3,6-7H2.
What are the key properties of 1-(2,3-dichlorophenyl)-3-(trifluoromethyl)cyclohexan-1-ol?
1-(2,3-dichlorophenyl)-3-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 313.15 g/mol, XLogP of 4.93, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-3-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 64757033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).