3-ethyl-1-[1-hydroxy-4-(trifluoromethyl)cyclohexyl]cyclopentane-1-carbonitrile

C15H22F3NO — CID 79132877

IUPAC3-ethyl-1-[1-hydroxy-4-(trifluoromethyl)cyclohexyl]cyclopentane-1-carbonitrile
SMILESCCC1CCC(C#N)(C2(O)CCC(C(F)(F)F)CC2)C1
InChIInChI=1S/C15H22F3NO/c1-2-11-3-6-13(9-11,10-19)14(20)7-4-12(5-8-14)15(16,17)18/h11-12,20H,2-9H2,1H3
InChIKeyFFZKLPIBIUWNPR-UHFFFAOYSA-N
MW289.34 g/mol
LogP4.19
Rot. Bonds2

About 3-ethyl-1-[1-hydroxy-4-(trifluoromethyl)cyclohexyl]cyclopentane-1-carbonitrile

3-ethyl-1-[1-hydroxy-4-(trifluoromethyl)cyclohexyl]cyclopentane-1-carbonitrile (PubChem CID 79132877) has the molecular formula C15H22F3NO and a molecular weight of 289.34 g/mol. Its IUPAC name is 3-ethyl-1-[1-hydroxy-4-(trifluoromethyl)cyclohexyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name3-ethyl-1-[1-hydroxy-4-(trifluoromethyl)cyclohexyl]cyclopentane-1-carbonitrile
PubChem CID79132877
Molecular FormulaC15H22F3NO
Molecular Weight289.34 g/mol
Exact Mass289.17
IUPAC Name3-ethyl-1-[1-hydroxy-4-(trifluoromethyl)cyclohexyl]cyclopentane-1-carbonitrile
SMILESCCC1CCC(C#N)(C2(O)CCC(C(F)(F)F)CC2)C1
InChIInChI=1S/C15H22F3NO/c1-2-11-3-6-13(9-11,10-19)14(20)7-4-12(5-8-14)15(16,17)18/h11-12,20H,2-9H2,1H3
InChIKeyFFZKLPIBIUWNPR-UHFFFAOYSA-N
XLogP4.19
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1-(1-hydroxycyclopentyl)cyclopentane-1-carbonitrile
CID 79129441
3-ethyl-1-(1-hydroxy-4-propylcycloheptyl)cyclopentane-1-carbonitrile
CID 79126672
1-[1-(aminomethyl)-3-ethylcyclopentyl]-4-(trifluoromethyl)cyclohexan-1-ol
CID 79123952
3-ethyl-1-(2-hydroxy-1,3-dihydroinden-2-yl)cyclopentane-1-carbonitrile
CID 79129142
4-ethyl-1-(1-hydroxycyclohexyl)cyclohexane-1-carbonitrile
CID 79118407
1-(4-ethyl-1-hydroxycycloheptyl)cyclobutane-1-carbonitrile
CID 79128942
3-ethyl-1-(1-hydroxy-2-methylcyclohexyl)cyclopentane-1-carbonitrile
CID 79130260
4-ethyl-1-(1-hydroxy-4-propan-2-ylcycloheptyl)cyclohexane-1-carbonitrile
CID 79123865
1-(1-hydroxy-4-propylcyclohexyl)cyclobutane-1-carbonitrile
CID 79130247
1-(1-hydroxy-4-propylcyclohexyl)cyclohexane-1-carbonitrile
CID 79130574
1-(4-ethylcyclohexyl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 64756338
4-ethyl-1-(4-hydroxy-1-propan-2-ylpiperidin-4-yl)cyclohexane-1-carbonitrile
CID 79130957

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[1-hydroxy-4-(trifluoromethyl)cyclohexyl]cyclopentane-1-carbonitrile?
The IUPAC name of 3-ethyl-1-[1-hydroxy-4-(trifluoromethyl)cyclohexyl]cyclopentane-1-carbonitrile (CID 79132877) is 3-ethyl-1-[1-hydroxy-4-(trifluoromethyl)cyclohexyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 3-ethyl-1-[1-hydroxy-4-(trifluoromethyl)cyclohexyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 3-ethyl-1-[1-hydroxy-4-(trifluoromethyl)cyclohexyl]cyclopentane-1-carbonitrile is CCC1CCC(C#N)(C2(O)CCC(C(F)(F)F)CC2)C1.
What is the InChIKey of 3-ethyl-1-[1-hydroxy-4-(trifluoromethyl)cyclohexyl]cyclopentane-1-carbonitrile?
The InChIKey is FFZKLPIBIUWNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO/c1-2-11-3-6-13(9-11,10-19)14(20)7-4-12(5-8-14)15(16,17)18/h11-12,20H,2-9H2,1H3.
What are the key properties of 3-ethyl-1-[1-hydroxy-4-(trifluoromethyl)cyclohexyl]cyclopentane-1-carbonitrile?
3-ethyl-1-[1-hydroxy-4-(trifluoromethyl)cyclohexyl]cyclopentane-1-carbonitrile has a molecular weight of 289.34 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[1-hydroxy-4-(trifluoromethyl)cyclohexyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 79132877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).