1-(3-cyclopropylimidazol-4-yl)-4,4,4-trifluorobutan-1-ol

C10H13F3N2O — CID 66142466

IUPAC1-(3-cyclopropylimidazol-4-yl)-4,4,4-trifluorobutan-1-ol
SMILESOC(CCC(F)(F)F)c1cncn1C1CC1
InChIInChI=1S/C10H13F3N2O/c11-10(12,13)4-3-9(16)8-5-14-6-15(8)7-1-2-7/h5-7,9,16H,1-4H2
InChIKeyFYLRCLNESCVMEK-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.59
Rot. Bonds4

About 1-(3-cyclopropylimidazol-4-yl)-4,4,4-trifluorobutan-1-ol

1-(3-cyclopropylimidazol-4-yl)-4,4,4-trifluorobutan-1-ol (PubChem CID 66142466) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 1-(3-cyclopropylimidazol-4-yl)-4,4,4-trifluorobutan-1-ol.

Molecular Properties

Compound Name1-(3-cyclopropylimidazol-4-yl)-4,4,4-trifluorobutan-1-ol
PubChem CID66142466
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name1-(3-cyclopropylimidazol-4-yl)-4,4,4-trifluorobutan-1-ol
SMILESOC(CCC(F)(F)F)c1cncn1C1CC1
InChIInChI=1S/C10H13F3N2O/c11-10(12,13)4-3-9(16)8-5-14-6-15(8)7-1-2-7/h5-7,9,16H,1-4H2
InChIKeyFYLRCLNESCVMEK-UHFFFAOYSA-N
XLogP2.59
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-(2,2-Difluoroethyl)-1H-imidazol-5-yl)methanol
CID 115409377
1-(1,2-dimethyl-1H-imidazol-5-yl)-2,2,2-trifluoroethanol
CID 13615349
2,2,2-Trifluoro-1-(1-methyl-1h-imidazol-5-yl)ethan-1-ol
CID 66118205
1-(1-ethyl-1H-imidazol-5-yl)-2,2,2-trifluoroethanol
CID 66133110
1-[1-(cyclopropylmethyl)-1H-imidazol-5-yl]-2,2,2-trifluoroethanol
CID 67401011
1-(1-(cyclopropylmethyl)-1H-imidazol-4-yl)-2,2,2-trifluoroethanol
CID 67402175
1-Fluoro-3-[2-methyl-5-(2-methylcyclopropyl)imidazol-1-yl]propan-2-ol
CID 123272110
2-[1-(Fluoromethyl)-5-propylimidazol-2-yl]ethanol
CID 170194885
1-(1,2-Dimethylimidazol-4-yl)-2,2,2-trifluoroethanol
CID 13615350
4,4,4-Trifluoro-1-(3-methylimidazol-4-yl)butan-1-ol
CID 66117762
2,2,2-Trifluoro-1-(3-propylimidazol-4-yl)ethanol
CID 66130454
4,4,4-Trifluoro-1-(3-propylimidazol-4-yl)butan-1-ol
CID 66131239

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropylimidazol-4-yl)-4,4,4-trifluorobutan-1-ol?
The IUPAC name of 1-(3-cyclopropylimidazol-4-yl)-4,4,4-trifluorobutan-1-ol (CID 66142466) is 1-(3-cyclopropylimidazol-4-yl)-4,4,4-trifluorobutan-1-ol.
What is the SMILES notation for 1-(3-cyclopropylimidazol-4-yl)-4,4,4-trifluorobutan-1-ol?
The canonical SMILES for 1-(3-cyclopropylimidazol-4-yl)-4,4,4-trifluorobutan-1-ol is OC(CCC(F)(F)F)c1cncn1C1CC1.
What is the InChIKey of 1-(3-cyclopropylimidazol-4-yl)-4,4,4-trifluorobutan-1-ol?
The InChIKey is FYLRCLNESCVMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c11-10(12,13)4-3-9(16)8-5-14-6-15(8)7-1-2-7/h5-7,9,16H,1-4H2.
What are the key properties of 1-(3-cyclopropylimidazol-4-yl)-4,4,4-trifluorobutan-1-ol?
1-(3-cyclopropylimidazol-4-yl)-4,4,4-trifluorobutan-1-ol has a molecular weight of 234.22 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropylimidazol-4-yl)-4,4,4-trifluorobutan-1-ol is sourced from PubChem (CID 66142466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).