(1-propylimidazol-2-yl)-[4-(trifluoromethyl)cyclohexyl]methanol

C14H21F3N2O — CID 105098503

IUPAC(1-propylimidazol-2-yl)-[4-(trifluoromethyl)cyclohexyl]methanol
SMILESCCCn1ccnc1C(O)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H21F3N2O/c1-2-8-19-9-7-18-13(19)12(20)10-3-5-11(6-4-10)14(15,16)17/h7,9-12,20H,2-6,8H2,1H3
InChIKeyROJJLIOOVFCILM-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.70
Rot. Bonds4

About (1-propylimidazol-2-yl)-[4-(trifluoromethyl)cyclohexyl]methanol

(1-propylimidazol-2-yl)-[4-(trifluoromethyl)cyclohexyl]methanol (PubChem CID 105098503) has the molecular formula C14H21F3N2O and a molecular weight of 290.33 g/mol. Its IUPAC name is (1-propylimidazol-2-yl)-[4-(trifluoromethyl)cyclohexyl]methanol.

Molecular Properties

Compound Name(1-propylimidazol-2-yl)-[4-(trifluoromethyl)cyclohexyl]methanol
PubChem CID105098503
Molecular FormulaC14H21F3N2O
Molecular Weight290.33 g/mol
Exact Mass290.16
IUPAC Name(1-propylimidazol-2-yl)-[4-(trifluoromethyl)cyclohexyl]methanol
SMILESCCCn1ccnc1C(O)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H21F3N2O/c1-2-8-19-9-7-18-13(19)12(20)10-3-5-11(6-4-10)14(15,16)17/h7,9-12,20H,2-6,8H2,1H3
InChIKeyROJJLIOOVFCILM-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-propylimidazol-2-yl)-[4-(trifluoromethyl)cyclohexyl]methanol?
The IUPAC name of (1-propylimidazol-2-yl)-[4-(trifluoromethyl)cyclohexyl]methanol (CID 105098503) is (1-propylimidazol-2-yl)-[4-(trifluoromethyl)cyclohexyl]methanol.
What is the SMILES notation for (1-propylimidazol-2-yl)-[4-(trifluoromethyl)cyclohexyl]methanol?
The canonical SMILES for (1-propylimidazol-2-yl)-[4-(trifluoromethyl)cyclohexyl]methanol is CCCn1ccnc1C(O)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of (1-propylimidazol-2-yl)-[4-(trifluoromethyl)cyclohexyl]methanol?
The InChIKey is ROJJLIOOVFCILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O/c1-2-8-19-9-7-18-13(19)12(20)10-3-5-11(6-4-10)14(15,16)17/h7,9-12,20H,2-6,8H2,1H3.
What are the key properties of (1-propylimidazol-2-yl)-[4-(trifluoromethyl)cyclohexyl]methanol?
(1-propylimidazol-2-yl)-[4-(trifluoromethyl)cyclohexyl]methanol has a molecular weight of 290.33 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propylimidazol-2-yl)-[4-(trifluoromethyl)cyclohexyl]methanol is sourced from PubChem (CID 105098503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).