1-[4-(4-propylcyclohexyl)-1-(trifluoromethyl)cyclohexyl]heptan-1-ol

C23H41F3O — CID 25027320

IUPAC1-[4-(4-propylcyclohexyl)-1-(trifluoromethyl)cyclohexyl]heptan-1-ol
SMILESCCCCCCC(O)C1(C(F)(F)F)CCC(C2CCC(CCC)CC2)CC1
InChIInChI=1S/C23H41F3O/c1-3-5-6-7-9-21(27)22(23(24,25)26)16-14-20(15-17-22)19-12-10-18(8-4-2)11-13-19/h18-21,27H,3-17H2,1-2H3
InChIKeyBJYAUGBQLNCCKO-UHFFFAOYSA-N
MW390.57 g/mol
LogP7.66
Rot. Bonds9

About 1-[4-(4-propylcyclohexyl)-1-(trifluoromethyl)cyclohexyl]heptan-1-ol

1-[4-(4-propylcyclohexyl)-1-(trifluoromethyl)cyclohexyl]heptan-1-ol (PubChem CID 25027320) has the molecular formula C23H41F3O and a molecular weight of 390.57 g/mol. Its IUPAC name is 1-[4-(4-propylcyclohexyl)-1-(trifluoromethyl)cyclohexyl]heptan-1-ol.

Molecular Properties

Compound Name1-[4-(4-propylcyclohexyl)-1-(trifluoromethyl)cyclohexyl]heptan-1-ol
PubChem CID25027320
Molecular FormulaC23H41F3O
Molecular Weight390.57 g/mol
Exact Mass390.31
IUPAC Name1-[4-(4-propylcyclohexyl)-1-(trifluoromethyl)cyclohexyl]heptan-1-ol
SMILESCCCCCCC(O)C1(C(F)(F)F)CCC(C2CCC(CCC)CC2)CC1
InChIInChI=1S/C23H41F3O/c1-3-5-6-7-9-21(27)22(23(24,25)26)16-14-20(15-17-22)19-12-10-18(8-4-2)11-13-19/h18-21,27H,3-17H2,1-2H3
InChIKeyBJYAUGBQLNCCKO-UHFFFAOYSA-N
XLogP7.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.57
LogP ≤ 57.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-propylcyclohexyl)-1-(trifluoromethyl)cyclohexyl]heptan-1-ol?
The IUPAC name of 1-[4-(4-propylcyclohexyl)-1-(trifluoromethyl)cyclohexyl]heptan-1-ol (CID 25027320) is 1-[4-(4-propylcyclohexyl)-1-(trifluoromethyl)cyclohexyl]heptan-1-ol.
What is the SMILES notation for 1-[4-(4-propylcyclohexyl)-1-(trifluoromethyl)cyclohexyl]heptan-1-ol?
The canonical SMILES for 1-[4-(4-propylcyclohexyl)-1-(trifluoromethyl)cyclohexyl]heptan-1-ol is CCCCCCC(O)C1(C(F)(F)F)CCC(C2CCC(CCC)CC2)CC1.
What is the InChIKey of 1-[4-(4-propylcyclohexyl)-1-(trifluoromethyl)cyclohexyl]heptan-1-ol?
The InChIKey is BJYAUGBQLNCCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H41F3O/c1-3-5-6-7-9-21(27)22(23(24,25)26)16-14-20(15-17-22)19-12-10-18(8-4-2)11-13-19/h18-21,27H,3-17H2,1-2H3.
What are the key properties of 1-[4-(4-propylcyclohexyl)-1-(trifluoromethyl)cyclohexyl]heptan-1-ol?
1-[4-(4-propylcyclohexyl)-1-(trifluoromethyl)cyclohexyl]heptan-1-ol has a molecular weight of 390.57 g/mol, XLogP of 7.66, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-propylcyclohexyl)-1-(trifluoromethyl)cyclohexyl]heptan-1-ol is sourced from PubChem (CID 25027320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).