1-[(1-ethylimidazol-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol

C13H19F3N2O — CID 79744244

IUPAC1-[(1-ethylimidazol-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol
SMILESCCn1ccnc1CC1(O)CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H19F3N2O/c1-2-18-7-6-17-11(18)9-12(19)5-3-4-10(8-12)13(14,15)16/h6-7,10,19H,2-5,8-9H2,1H3
InChIKeyPNFGXUOHUXZRFQ-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.93
Rot. Bonds3

About 1-[(1-ethylimidazol-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol

1-[(1-ethylimidazol-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 79744244) has the molecular formula C13H19F3N2O and a molecular weight of 276.30 g/mol. Its IUPAC name is 1-[(1-ethylimidazol-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(1-ethylimidazol-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol
PubChem CID79744244
Molecular FormulaC13H19F3N2O
Molecular Weight276.30 g/mol
Exact Mass276.14
IUPAC Name1-[(1-ethylimidazol-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol
SMILESCCn1ccnc1CC1(O)CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H19F3N2O/c1-2-18-7-6-17-11(18)9-12(19)5-3-4-10(8-12)13(14,15)16/h6-7,10,19H,2-5,8-9H2,1H3
InChIKeyPNFGXUOHUXZRFQ-UHFFFAOYSA-N
XLogP2.93
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylimidazol-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 1-[(1-ethylimidazol-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol (CID 79744244) is 1-[(1-ethylimidazol-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-[(1-ethylimidazol-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 1-[(1-ethylimidazol-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol is CCn1ccnc1CC1(O)CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-[(1-ethylimidazol-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is PNFGXUOHUXZRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O/c1-2-18-7-6-17-11(18)9-12(19)5-3-4-10(8-12)13(14,15)16/h6-7,10,19H,2-5,8-9H2,1H3.
What are the key properties of 1-[(1-ethylimidazol-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol?
1-[(1-ethylimidazol-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 276.30 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylimidazol-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 79744244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).