6,6,6-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol

C12H19F3N2O — CID 105120573

IUPAC6,6,6-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol
SMILESCc1nn(C)c(C)c1CC(O)CCCC(F)(F)F
InChIInChI=1S/C12H19F3N2O/c1-8-11(9(2)17(3)16-8)7-10(18)5-4-6-12(13,14)15/h10,18H,4-7H2,1-3H3
InChIKeyYQWSBBIWYMWVMY-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.67
Rot. Bonds5

About 6,6,6-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol

6,6,6-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol (PubChem CID 105120573) has the molecular formula C12H19F3N2O and a molecular weight of 264.29 g/mol. Its IUPAC name is 6,6,6-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol.

Molecular Properties

Compound Name6,6,6-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol
PubChem CID105120573
Molecular FormulaC12H19F3N2O
Molecular Weight264.29 g/mol
Exact Mass264.14
IUPAC Name6,6,6-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol
SMILESCc1nn(C)c(C)c1CC(O)CCCC(F)(F)F
InChIInChI=1S/C12H19F3N2O/c1-8-11(9(2)17(3)16-8)7-10(18)5-4-6-12(13,14)15/h10,18H,4-7H2,1-3H3
InChIKeyYQWSBBIWYMWVMY-UHFFFAOYSA-N
XLogP2.67
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-5-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol
CID 103028410
4-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol
CID 105122498
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-5,5,5-trifluoropentan-2-ol
CID 79954429
4,6-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)heptan-2-ol
CID 114201866
6,6,6-trifluoro-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-3-amine
CID 105156384
N-ethyl-5,5,5-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine
CID 105174254
3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol
CID 107894694
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-ol
CID 105108326
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-5,5,5-trifluoro-N-methylpentan-2-amine
CID 113470313
1-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 23005892
1-(2-bromo-5-fluorophenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-ol
CID 105088338
1-(4-bromophenyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-ol
CID 105077459

Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol?
The IUPAC name of 6,6,6-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol (CID 105120573) is 6,6,6-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol.
What is the SMILES notation for 6,6,6-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol?
The canonical SMILES for 6,6,6-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol is Cc1nn(C)c(C)c1CC(O)CCCC(F)(F)F.
What is the InChIKey of 6,6,6-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol?
The InChIKey is YQWSBBIWYMWVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O/c1-8-11(9(2)17(3)16-8)7-10(18)5-4-6-12(13,14)15/h10,18H,4-7H2,1-3H3.
What are the key properties of 6,6,6-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol?
6,6,6-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol has a molecular weight of 264.29 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)hexan-2-ol is sourced from PubChem (CID 105120573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).