2,4,4-trimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol

C17H23F3O — CID 81304989

IUPAC2,4,4-trimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol
SMILESCC1CC(C)(C)CCC1(O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H23F3O/c1-12-10-15(2,3)8-9-16(12,21)11-13-4-6-14(7-5-13)17(18,19)20/h4-7,12,21H,8-11H2,1-3H3
InChIKeyCBTQXVWWYZKPRV-UHFFFAOYSA-N
MW300.36 g/mol
LogP4.83
Rot. Bonds2

About 2,4,4-trimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol

2,4,4-trimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol (PubChem CID 81304989) has the molecular formula C17H23F3O and a molecular weight of 300.36 g/mol. Its IUPAC name is 2,4,4-trimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2,4,4-trimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol
PubChem CID81304989
Molecular FormulaC17H23F3O
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Name2,4,4-trimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol
SMILESCC1CC(C)(C)CCC1(O)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H23F3O/c1-12-10-15(2,3)8-9-16(12,21)11-13-4-6-14(7-5-13)17(18,19)20/h4-7,12,21H,8-11H2,1-3H3
InChIKeyCBTQXVWWYZKPRV-UHFFFAOYSA-N
XLogP4.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(4-iodophenyl)methyl]-2,4,4-trimethylcyclohexan-1-ol
CID 81313908
2,3-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol
CID 65153585
2,4,4-trimethyl-1-[(3-methylphenyl)methyl]cyclohexan-1-ol
CID 81314321
3-methoxy-1-[[4-(trifluoromethyl)phenyl]methyl]cyclobutan-1-ol
CID 106823679
1-[(4-fluorophenyl)methyl]-2-methylcyclopropan-1-ol
CID 79333953
1-[(2-chloro-4-fluorophenyl)methyl]-2,4,4-trimethylcyclohexan-1-ol
CID 81315223
1-[(2-bromo-5-fluorophenyl)methyl]-2,4,4-trimethylcyclohexan-1-ol
CID 81314859
3,3,5-trimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 63407936
3-ethyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclopentan-1-ol
CID 65154318
4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 62620107
2-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 62619930
4,4-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 81014967

Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol?
The IUPAC name of 2,4,4-trimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol (CID 81304989) is 2,4,4-trimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2,4,4-trimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol?
The canonical SMILES for 2,4,4-trimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol is CC1CC(C)(C)CCC1(O)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2,4,4-trimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol?
The InChIKey is CBTQXVWWYZKPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3O/c1-12-10-15(2,3)8-9-16(12,21)11-13-4-6-14(7-5-13)17(18,19)20/h4-7,12,21H,8-11H2,1-3H3.
What are the key properties of 2,4,4-trimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol?
2,4,4-trimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol has a molecular weight of 300.36 g/mol, XLogP of 4.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol is sourced from PubChem (CID 81304989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).