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

C14H21F3N2O — CID 79744329

IUPAC1-[(1-propylimidazol-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol
SMILESCCCn1ccnc1CC1(O)CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H21F3N2O/c1-2-7-19-8-6-18-12(19)10-13(20)5-3-4-11(9-13)14(15,16)17/h6,8,11,20H,2-5,7,9-10H2,1H3
InChIKeyVQYIZWVPOFONLB-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.32
Rot. Bonds4

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

1-[(1-propylimidazol-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 79744329) has the molecular formula C14H21F3N2O and a molecular weight of 290.33 g/mol. Its IUPAC name is 1-[(1-propylimidazol-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(1-propylimidazol-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol
PubChem CID79744329
Molecular FormulaC14H21F3N2O
Molecular Weight290.33 g/mol
Exact Mass290.16
IUPAC Name1-[(1-propylimidazol-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol
SMILESCCCn1ccnc1CC1(O)CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H21F3N2O/c1-2-7-19-8-6-18-12(19)10-13(20)5-3-4-11(9-13)14(15,16)17/h6,8,11,20H,2-5,7,9-10H2,1H3
InChIKeyVQYIZWVPOFONLB-UHFFFAOYSA-N
XLogP3.32
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-propylimidazol-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 1-[(1-propylimidazol-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol (CID 79744329) is 1-[(1-propylimidazol-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-[(1-propylimidazol-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 1-[(1-propylimidazol-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol is CCCn1ccnc1CC1(O)CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-[(1-propylimidazol-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is VQYIZWVPOFONLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O/c1-2-7-19-8-6-18-12(19)10-13(20)5-3-4-11(9-13)14(15,16)17/h6,8,11,20H,2-5,7,9-10H2,1H3.
What are the key properties of 1-[(1-propylimidazol-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol?
1-[(1-propylimidazol-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 290.33 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-propylimidazol-2-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 79744329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).