6,6,6-trifluoro-2-methyl-1-(1-propylimidazol-2-yl)hexan-2-ol

C13H21F3N2O — CID 116535799

IUPAC6,6,6-trifluoro-2-methyl-1-(1-propylimidazol-2-yl)hexan-2-ol
SMILESCCCn1ccnc1CC(C)(O)CCCC(F)(F)F
InChIInChI=1S/C13H21F3N2O/c1-3-8-18-9-7-17-11(18)10-12(2,19)5-4-6-13(14,15)16/h7,9,19H,3-6,8,10H2,1-2H3
InChIKeyXNFVOHKODNLNND-UHFFFAOYSA-N
MW278.32 g/mol
LogP3.32
Rot. Bonds7

About 6,6,6-trifluoro-2-methyl-1-(1-propylimidazol-2-yl)hexan-2-ol

6,6,6-trifluoro-2-methyl-1-(1-propylimidazol-2-yl)hexan-2-ol (PubChem CID 116535799) has the molecular formula C13H21F3N2O and a molecular weight of 278.32 g/mol. Its IUPAC name is 6,6,6-trifluoro-2-methyl-1-(1-propylimidazol-2-yl)hexan-2-ol.

Molecular Properties

Compound Name6,6,6-trifluoro-2-methyl-1-(1-propylimidazol-2-yl)hexan-2-ol
PubChem CID116535799
Molecular FormulaC13H21F3N2O
Molecular Weight278.32 g/mol
Exact Mass278.16
IUPAC Name6,6,6-trifluoro-2-methyl-1-(1-propylimidazol-2-yl)hexan-2-ol
SMILESCCCn1ccnc1CC(C)(O)CCCC(F)(F)F
InChIInChI=1S/C13H21F3N2O/c1-3-8-18-9-7-17-11(18)10-12(2,19)5-4-6-13(14,15)16/h7,9,19H,3-6,8,10H2,1-2H3
InChIKeyXNFVOHKODNLNND-UHFFFAOYSA-N
XLogP3.32
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(tert-butylamino)-2-methyl-1-(1-propylimidazol-2-yl)butan-2-ol
CID 79761465
1-methoxy-2-methyl-3-(1-propylimidazol-2-yl)propan-2-ol
CID 79744860
2-methyl-1-(propylamino)-3-(1-propylimidazol-2-yl)propan-2-ol
CID 79760722
5,5,5-trifluoro-N-[(1-propylimidazol-2-yl)methyl]pentan-1-amine
CID 113327188
2-phenyl-1-(1-propylimidazol-2-yl)propan-2-ol
CID 79744122
3-methoxy-2,3-dimethyl-1-(1-propylimidazol-2-yl)butan-2-ol
CID 114228321
3-amino-1,1,1-trifluoro-2-[(1-propylimidazol-2-yl)methyl]butan-2-ol
CID 79738150
4-(ethylamino)-1-(1-ethylimidazol-2-yl)-2-methylbutan-2-ol
CID 79760958
2-methyl-N-[[1-(4,4,4-trifluorobutyl)imidazol-2-yl]methyl]propan-2-amine
CID 113326667
6,6,6-trifluoro-2-methyl-1-(1-pentan-3-ylpyrazol-3-yl)hexan-2-ol
CID 116535858
2-fluoro-3-methyl-2-[(1-propylimidazol-2-yl)methyl]butan-1-amine
CID 112566789
2-(3,4-dimethylphenyl)-1-(1-propylimidazol-2-yl)propan-2-ol
CID 79744402

Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-2-methyl-1-(1-propylimidazol-2-yl)hexan-2-ol?
The IUPAC name of 6,6,6-trifluoro-2-methyl-1-(1-propylimidazol-2-yl)hexan-2-ol (CID 116535799) is 6,6,6-trifluoro-2-methyl-1-(1-propylimidazol-2-yl)hexan-2-ol.
What is the SMILES notation for 6,6,6-trifluoro-2-methyl-1-(1-propylimidazol-2-yl)hexan-2-ol?
The canonical SMILES for 6,6,6-trifluoro-2-methyl-1-(1-propylimidazol-2-yl)hexan-2-ol is CCCn1ccnc1CC(C)(O)CCCC(F)(F)F.
What is the InChIKey of 6,6,6-trifluoro-2-methyl-1-(1-propylimidazol-2-yl)hexan-2-ol?
The InChIKey is XNFVOHKODNLNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O/c1-3-8-18-9-7-17-11(18)10-12(2,19)5-4-6-13(14,15)16/h7,9,19H,3-6,8,10H2,1-2H3.
What are the key properties of 6,6,6-trifluoro-2-methyl-1-(1-propylimidazol-2-yl)hexan-2-ol?
6,6,6-trifluoro-2-methyl-1-(1-propylimidazol-2-yl)hexan-2-ol has a molecular weight of 278.32 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-2-methyl-1-(1-propylimidazol-2-yl)hexan-2-ol is sourced from PubChem (CID 116535799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).