1-(4-ethylcyclohexyl)-4-(trifluoromethyl)cyclohexan-1-ol

C15H25F3O — CID 64756338

IUPAC1-(4-ethylcyclohexyl)-4-(trifluoromethyl)cyclohexan-1-ol
SMILESCCC1CCC(C2(O)CCC(C(F)(F)F)CC2)CC1
InChIInChI=1S/C15H25F3O/c1-2-11-3-5-12(6-4-11)14(19)9-7-13(8-10-14)15(16,17)18/h11-13,19H,2-10H2,1H3
InChIKeyHLNFUPYKNBBPNN-UHFFFAOYSA-N
MW278.36 g/mol
LogP4.69
Rot. Bonds2

About 1-(4-ethylcyclohexyl)-4-(trifluoromethyl)cyclohexan-1-ol

1-(4-ethylcyclohexyl)-4-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 64756338) has the molecular formula C15H25F3O and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-(4-ethylcyclohexyl)-4-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(4-ethylcyclohexyl)-4-(trifluoromethyl)cyclohexan-1-ol
PubChem CID64756338
Molecular FormulaC15H25F3O
Molecular Weight278.36 g/mol
Exact Mass278.19
IUPAC Name1-(4-ethylcyclohexyl)-4-(trifluoromethyl)cyclohexan-1-ol
SMILESCCC1CCC(C2(O)CCC(C(F)(F)F)CC2)CC1
InChIInChI=1S/C15H25F3O/c1-2-11-3-5-12(6-4-11)14(19)9-7-13(8-10-14)15(16,17)18/h11-13,19H,2-10H2,1H3
InChIKeyHLNFUPYKNBBPNN-UHFFFAOYSA-N
XLogP4.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcyclohexyl)-4-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 1-(4-ethylcyclohexyl)-4-(trifluoromethyl)cyclohexan-1-ol (CID 64756338) is 1-(4-ethylcyclohexyl)-4-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(4-ethylcyclohexyl)-4-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 1-(4-ethylcyclohexyl)-4-(trifluoromethyl)cyclohexan-1-ol is CCC1CCC(C2(O)CCC(C(F)(F)F)CC2)CC1.
What is the InChIKey of 1-(4-ethylcyclohexyl)-4-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is HLNFUPYKNBBPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3O/c1-2-11-3-5-12(6-4-11)14(19)9-7-13(8-10-14)15(16,17)18/h11-13,19H,2-10H2,1H3.
What are the key properties of 1-(4-ethylcyclohexyl)-4-(trifluoromethyl)cyclohexan-1-ol?
1-(4-ethylcyclohexyl)-4-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 278.36 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclohexyl)-4-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 64756338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).