1,1,1-trifluoro-2-(quinolin-2-ylmethyl)butan-2-ol

C14H14F3NO — CID 102526334

IUPAC1,1,1-trifluoro-2-(quinolin-2-ylmethyl)butan-2-ol
SMILESCCC(O)(Cc1ccc2ccccc2n1)C(F)(F)F
InChIInChI=1S/C14H14F3NO/c1-2-13(19,14(15,16)17)9-11-8-7-10-5-3-4-6-12(10)18-11/h3-8,19H,2,9H2,1H3
InChIKeyMNHSDWIBPFPJLZ-UHFFFAOYSA-N
MW269.27 g/mol
LogP3.48
Rot. Bonds3

About 1,1,1-trifluoro-2-(quinolin-2-ylmethyl)butan-2-ol

1,1,1-trifluoro-2-(quinolin-2-ylmethyl)butan-2-ol (PubChem CID 102526334) has the molecular formula C14H14F3NO and a molecular weight of 269.27 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(quinolin-2-ylmethyl)butan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(quinolin-2-ylmethyl)butan-2-ol
PubChem CID102526334
Molecular FormulaC14H14F3NO
Molecular Weight269.27 g/mol
Exact Mass269.10
IUPAC Name1,1,1-trifluoro-2-(quinolin-2-ylmethyl)butan-2-ol
SMILESCCC(O)(Cc1ccc2ccccc2n1)C(F)(F)F
InChIInChI=1S/C14H14F3NO/c1-2-13(19,14(15,16)17)9-11-8-7-10-5-3-4-6-12(10)18-11/h3-8,19H,2,9H2,1H3
InChIKeyMNHSDWIBPFPJLZ-UHFFFAOYSA-N
XLogP3.48
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-Dimethylquinoline
CID 14536
2-Quinolineethanol
CID 70532
2-Isobutylquinoline
CID 7130
2-Propylquinoline
CID 74166
1-Phenyl-1-(2-quinolinyl)ethanol
CID 273212
2-Quinolinemethanol
CID 73196
2-Butylquinoline
CID 459597
3-Ethyl-2-propylquinoline
CID 76791
2-Pentylquinoline
CID 185231
6-Fluoro-2-methylquinoline
CID 70784
1,1,1-Trichloro-3-(quinolin-2-yl)propan-2-ol
CID 225990
2-Ethylquinoline
CID 137113

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(quinolin-2-ylmethyl)butan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-(quinolin-2-ylmethyl)butan-2-ol (CID 102526334) is 1,1,1-trifluoro-2-(quinolin-2-ylmethyl)butan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-(quinolin-2-ylmethyl)butan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-(quinolin-2-ylmethyl)butan-2-ol is CCC(O)(Cc1ccc2ccccc2n1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-(quinolin-2-ylmethyl)butan-2-ol?
The InChIKey is MNHSDWIBPFPJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO/c1-2-13(19,14(15,16)17)9-11-8-7-10-5-3-4-6-12(10)18-11/h3-8,19H,2,9H2,1H3.
What are the key properties of 1,1,1-trifluoro-2-(quinolin-2-ylmethyl)butan-2-ol?
1,1,1-trifluoro-2-(quinolin-2-ylmethyl)butan-2-ol has a molecular weight of 269.27 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(quinolin-2-ylmethyl)butan-2-ol is sourced from PubChem (CID 102526334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).