(2,3-dichlorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanol

C14H15Cl2F3O — CID 105093185

IUPAC(2,3-dichlorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanol
SMILESOC(c1cccc(Cl)c1Cl)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H15Cl2F3O/c15-11-3-1-2-10(12(11)16)13(20)8-4-6-9(7-5-8)14(17,18)19/h1-3,8-9,13,20H,4-7H2
InChIKeyJDHAREYDCXNUHM-UHFFFAOYSA-N
MW327.17 g/mol
LogP5.40
Rot. Bonds2

About (2,3-dichlorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanol

(2,3-dichlorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanol (PubChem CID 105093185) has the molecular formula C14H15Cl2F3O and a molecular weight of 327.17 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanol.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanol
PubChem CID105093185
Molecular FormulaC14H15Cl2F3O
Molecular Weight327.17 g/mol
Exact Mass326.05
IUPAC Name(2,3-dichlorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanol
SMILESOC(c1cccc(Cl)c1Cl)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H15Cl2F3O/c15-11-3-1-2-10(12(11)16)13(20)8-4-6-9(7-5-8)14(17,18)19/h1-3,8-9,13,20H,4-7H2
InChIKeyJDHAREYDCXNUHM-UHFFFAOYSA-N
XLogP5.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.17
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cyclobutyl-(2,3-dichlorophenyl)methanol
CID 64986948
(2,3-dimethylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanol
CID 105091992
(1S,2R)-2-amino-1-cyclopropyl-2-(2,3-dichlorophenyl)ethanol
CID 171161214
(2,3-difluoro-4-methylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanol
CID 107516176
(R)-(2-chlorophenyl)-cyclopentylmethanol
CID 93462160
cyclopropyl-(2,3-dichlorophenyl)methanamine
CID 62789310
(3-bromo-2-fluorophenyl)-(4-tert-butylcyclohexyl)methanol
CID 106644575
(4-methyl-3-pyridinyl)-[4-(trifluoromethyl)cyclohexyl]methanol
CID 105110904
[(4-tert-butylcyclohexyl)-(2,3-dichlorophenyl)methyl]hydrazine
CID 105232732
(3-chloro-2-fluorophenyl)-(oxan-4-yl)methanol
CID 64713264
(2,3-dichlorophenyl)-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 105141855
2-adamantyl-(2,3-dichlorophenyl)methanol
CID 115792955

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanol?
The IUPAC name of (2,3-dichlorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanol (CID 105093185) is (2,3-dichlorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanol.
What is the SMILES notation for (2,3-dichlorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanol?
The canonical SMILES for (2,3-dichlorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanol is OC(c1cccc(Cl)c1Cl)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of (2,3-dichlorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanol?
The InChIKey is JDHAREYDCXNUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2F3O/c15-11-3-1-2-10(12(11)16)13(20)8-4-6-9(7-5-8)14(17,18)19/h1-3,8-9,13,20H,4-7H2.
What are the key properties of (2,3-dichlorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanol?
(2,3-dichlorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanol has a molecular weight of 327.17 g/mol, XLogP of 5.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)-[4-(trifluoromethyl)cyclohexyl]methanol is sourced from PubChem (CID 105093185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).