7,7,7-trifluoro-3-methyl-1-(1-methylimidazol-2-yl)heptan-3-ol

C12H19F3N2O — CID 114529326

IUPAC7,7,7-trifluoro-3-methyl-1-(1-methylimidazol-2-yl)heptan-3-ol
SMILESCn1ccnc1CCC(C)(O)CCCC(F)(F)F
InChIInChI=1S/C12H19F3N2O/c1-11(18,5-3-6-12(13,14)15)7-4-10-16-8-9-17(10)2/h8-9,18H,3-7H2,1-2H3
InChIKeyLMPFCIKYMYOMBH-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.84
Rot. Bonds6

About 7,7,7-trifluoro-3-methyl-1-(1-methylimidazol-2-yl)heptan-3-ol

7,7,7-trifluoro-3-methyl-1-(1-methylimidazol-2-yl)heptan-3-ol (PubChem CID 114529326) has the molecular formula C12H19F3N2O and a molecular weight of 264.29 g/mol. Its IUPAC name is 7,7,7-trifluoro-3-methyl-1-(1-methylimidazol-2-yl)heptan-3-ol.

Molecular Properties

Compound Name7,7,7-trifluoro-3-methyl-1-(1-methylimidazol-2-yl)heptan-3-ol
PubChem CID114529326
Molecular FormulaC12H19F3N2O
Molecular Weight264.29 g/mol
Exact Mass264.14
IUPAC Name7,7,7-trifluoro-3-methyl-1-(1-methylimidazol-2-yl)heptan-3-ol
SMILESCn1ccnc1CCC(C)(O)CCCC(F)(F)F
InChIInChI=1S/C12H19F3N2O/c1-11(18,5-3-6-12(13,14)15)7-4-10-16-8-9-17(10)2/h8-9,18H,3-7H2,1-2H3
InChIKeyLMPFCIKYMYOMBH-UHFFFAOYSA-N
XLogP2.84
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 56901348
(7S,8R)-8-ethyl-5,5,6,6-tetrafluoro-7-methyl-7H-imidazo[1,2-a]pyridin-8-ol
CID 139047958
3-(1-Methylimidazol-2-yl)pentan-3-ol
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3-(1-Octan-2-ylimidazol-2-yl)pentan-3-ol
CID 134859017
1-[4-[(1R)-3,3-difluorocyclohexyl]butyl]-2-methylimidazole
CID 67537599
1-[4-[(1R)-3,3-difluorocyclopentyl]butyl]-2-methylimidazole
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1-[3-[(1S)-3,3-difluorocyclohexyl]propyl]-2-methylimidazole
CID 69047137
1-[2-[(1S)-3,3-difluorocyclopentyl]ethyl]-2-propan-2-ylimidazole
CID 69048277
1-[3-[(1S)-3,3-difluorocyclopentyl]propyl]-2-methylimidazole
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CID 69051326

Frequently Asked Questions

What is the IUPAC name of 7,7,7-trifluoro-3-methyl-1-(1-methylimidazol-2-yl)heptan-3-ol?
The IUPAC name of 7,7,7-trifluoro-3-methyl-1-(1-methylimidazol-2-yl)heptan-3-ol (CID 114529326) is 7,7,7-trifluoro-3-methyl-1-(1-methylimidazol-2-yl)heptan-3-ol.
What is the SMILES notation for 7,7,7-trifluoro-3-methyl-1-(1-methylimidazol-2-yl)heptan-3-ol?
The canonical SMILES for 7,7,7-trifluoro-3-methyl-1-(1-methylimidazol-2-yl)heptan-3-ol is Cn1ccnc1CCC(C)(O)CCCC(F)(F)F.
What is the InChIKey of 7,7,7-trifluoro-3-methyl-1-(1-methylimidazol-2-yl)heptan-3-ol?
The InChIKey is LMPFCIKYMYOMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O/c1-11(18,5-3-6-12(13,14)15)7-4-10-16-8-9-17(10)2/h8-9,18H,3-7H2,1-2H3.
What are the key properties of 7,7,7-trifluoro-3-methyl-1-(1-methylimidazol-2-yl)heptan-3-ol?
7,7,7-trifluoro-3-methyl-1-(1-methylimidazol-2-yl)heptan-3-ol has a molecular weight of 264.29 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,7-trifluoro-3-methyl-1-(1-methylimidazol-2-yl)heptan-3-ol is sourced from PubChem (CID 114529326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).