1,1,3,3-tetrafluoro-2-pyridin-2-ylpropan-2-ol

C8H7F4NO — CID 153440698

IUPAC1,1,3,3-tetrafluoro-2-pyridin-2-ylpropan-2-ol
SMILESOC(c1ccccn1)(C(F)F)C(F)F
InChIInChI=1S/C8H7F4NO/c9-6(10)8(14,7(11)12)5-3-1-2-4-13-5/h1-4,6-7,14H
InChIKeyFKLBTOCHODSEHI-UHFFFAOYSA-N
MW209.14 g/mol
LogP1.80
Rot. Bonds3

About 1,1,3,3-tetrafluoro-2-pyridin-2-ylpropan-2-ol

1,1,3,3-tetrafluoro-2-pyridin-2-ylpropan-2-ol (PubChem CID 153440698) has the molecular formula C8H7F4NO and a molecular weight of 209.14 g/mol. Its IUPAC name is 1,1,3,3-tetrafluoro-2-pyridin-2-ylpropan-2-ol.

Molecular Properties

Compound Name1,1,3,3-tetrafluoro-2-pyridin-2-ylpropan-2-ol
PubChem CID153440698
Molecular FormulaC8H7F4NO
Molecular Weight209.14 g/mol
Exact Mass209.05
IUPAC Name1,1,3,3-tetrafluoro-2-pyridin-2-ylpropan-2-ol
SMILESOC(c1ccccn1)(C(F)F)C(F)F
InChIInChI=1S/C8H7F4NO/c9-6(10)8(14,7(11)12)5-3-1-2-4-13-5/h1-4,6-7,14H
InChIKeyFKLBTOCHODSEHI-UHFFFAOYSA-N
XLogP1.80
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.14
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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fluoro(pyridin-2-yl)methanediamine
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fluoroform;pyridin-2-amine
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CID 162723245
CID 162723245
(1S)-2,2,2-trifluoro-1-phenyl-1-pyridin-2-ylethanol
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difluoro(pyridin-2-yl)methanamine
CID 83854913
(1S)-1-phenyl-1-pyridin-2-ylpropan-1-ol
CID 12522815
1-pyridin-2-ylpropane-1,1-diol
CID 18373059
2-(1,1-difluoro-2-methylpropyl)pyridine
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CID 80605991

Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetrafluoro-2-pyridin-2-ylpropan-2-ol?
The IUPAC name of 1,1,3,3-tetrafluoro-2-pyridin-2-ylpropan-2-ol (CID 153440698) is 1,1,3,3-tetrafluoro-2-pyridin-2-ylpropan-2-ol.
What is the SMILES notation for 1,1,3,3-tetrafluoro-2-pyridin-2-ylpropan-2-ol?
The canonical SMILES for 1,1,3,3-tetrafluoro-2-pyridin-2-ylpropan-2-ol is OC(c1ccccn1)(C(F)F)C(F)F.
What is the InChIKey of 1,1,3,3-tetrafluoro-2-pyridin-2-ylpropan-2-ol?
The InChIKey is FKLBTOCHODSEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F4NO/c9-6(10)8(14,7(11)12)5-3-1-2-4-13-5/h1-4,6-7,14H.
What are the key properties of 1,1,3,3-tetrafluoro-2-pyridin-2-ylpropan-2-ol?
1,1,3,3-tetrafluoro-2-pyridin-2-ylpropan-2-ol has a molecular weight of 209.14 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetrafluoro-2-pyridin-2-ylpropan-2-ol is sourced from PubChem (CID 153440698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).