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

C9H15F3O — CID 64756511

IUPAC1-ethyl-4-(trifluoromethyl)cyclohexan-1-ol
SMILESCCC1(O)CCC(C(F)(F)F)CC1
InChIInChI=1S/C9H15F3O/c1-2-8(13)5-3-7(4-6-8)9(10,11)12/h7,13H,2-6H2,1H3
InChIKeySBIFTJQCCYQJGS-UHFFFAOYSA-N
MW196.21 g/mol
LogP2.88
Rot. Bonds1

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

1-ethyl-4-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 64756511) has the molecular formula C9H15F3O and a molecular weight of 196.21 g/mol. Its IUPAC name is 1-ethyl-4-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-ethyl-4-(trifluoromethyl)cyclohexan-1-ol
PubChem CID64756511
Molecular FormulaC9H15F3O
Molecular Weight196.21 g/mol
Exact Mass196.11
IUPAC Name1-ethyl-4-(trifluoromethyl)cyclohexan-1-ol
SMILESCCC1(O)CCC(C(F)(F)F)CC1
InChIInChI=1S/C9H15F3O/c1-2-8(13)5-3-7(4-6-8)9(10,11)12/h7,13H,2-6H2,1H3
InChIKeySBIFTJQCCYQJGS-UHFFFAOYSA-N
XLogP2.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 1-ethyl-4-(trifluoromethyl)cyclohexan-1-ol (CID 64756511) is 1-ethyl-4-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-ethyl-4-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 1-ethyl-4-(trifluoromethyl)cyclohexan-1-ol is CCC1(O)CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-ethyl-4-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is SBIFTJQCCYQJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3O/c1-2-8(13)5-3-7(4-6-8)9(10,11)12/h7,13H,2-6H2,1H3.
What are the key properties of 1-ethyl-4-(trifluoromethyl)cyclohexan-1-ol?
1-ethyl-4-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 196.21 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 64756511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).