1,1,1,4-tetrafluoro-3-pyridin-2-ylbutan-2-ol

C9H9F4NO — CID 176556814

IUPAC1,1,1,4-tetrafluoro-3-pyridin-2-ylbutan-2-ol
SMILESOC(C(CF)c1ccccn1)C(F)(F)F
InChIInChI=1S/C9H9F4NO/c10-5-6(8(15)9(11,12)13)7-3-1-2-4-14-7/h1-4,6,8,15H,5H2
InChIKeyIKFKPGSJRVCFHK-UHFFFAOYSA-N
MW223.17 g/mol
LogP2.06
Rot. Bonds3

About 1,1,1,4-tetrafluoro-3-pyridin-2-ylbutan-2-ol

1,1,1,4-tetrafluoro-3-pyridin-2-ylbutan-2-ol (PubChem CID 176556814) has the molecular formula C9H9F4NO and a molecular weight of 223.17 g/mol. Its IUPAC name is 1,1,1,4-tetrafluoro-3-pyridin-2-ylbutan-2-ol.

Molecular Properties

Compound Name1,1,1,4-tetrafluoro-3-pyridin-2-ylbutan-2-ol
PubChem CID176556814
Molecular FormulaC9H9F4NO
Molecular Weight223.17 g/mol
Exact Mass223.06
IUPAC Name1,1,1,4-tetrafluoro-3-pyridin-2-ylbutan-2-ol
SMILESOC(C(CF)c1ccccn1)C(F)(F)F
InChIInChI=1S/C9H9F4NO/c10-5-6(8(15)9(11,12)13)7-3-1-2-4-14-7/h1-4,6,8,15H,5H2
InChIKeyIKFKPGSJRVCFHK-UHFFFAOYSA-N
XLogP2.06
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.17
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 172780589
CID 172780589
2,2,2-trifluoro-1-pyridin-2-ylethanamine
CID 25219911
(2,2,2-trifluoro-1-pyridin-2-ylethyl)azanide
CID 154488282
(1R,2R)-1-pyridin-2-yl-2-(trifluoromethyl)but-3-en-1-ol
CID 15261007
CID 10963306
CID 10963306
4,4,4-trifluoro-3-pyridin-2-ylbutanoic acid
CID 82534716
3,3,3-trifluoro-2-pyridin-2-ylpropanamide
CID 174447442
dipyridin-2-ylmethanol;palladium(2+);dichloride
CID 173385206
2-chloro-1-pyridin-2-ylethanol
CID 22145518
2,2,2-trichloro-1-pyridin-2-ylethanol
CID 3066911
2-(1,1,1-trifluoro-3-methylbutan-2-yl)pyridine
CID 166470570
3-amino-2-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 80525256

Frequently Asked Questions

What is the IUPAC name of 1,1,1,4-tetrafluoro-3-pyridin-2-ylbutan-2-ol?
The IUPAC name of 1,1,1,4-tetrafluoro-3-pyridin-2-ylbutan-2-ol (CID 176556814) is 1,1,1,4-tetrafluoro-3-pyridin-2-ylbutan-2-ol.
What is the SMILES notation for 1,1,1,4-tetrafluoro-3-pyridin-2-ylbutan-2-ol?
The canonical SMILES for 1,1,1,4-tetrafluoro-3-pyridin-2-ylbutan-2-ol is OC(C(CF)c1ccccn1)C(F)(F)F.
What is the InChIKey of 1,1,1,4-tetrafluoro-3-pyridin-2-ylbutan-2-ol?
The InChIKey is IKFKPGSJRVCFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F4NO/c10-5-6(8(15)9(11,12)13)7-3-1-2-4-14-7/h1-4,6,8,15H,5H2.
What are the key properties of 1,1,1,4-tetrafluoro-3-pyridin-2-ylbutan-2-ol?
1,1,1,4-tetrafluoro-3-pyridin-2-ylbutan-2-ol has a molecular weight of 223.17 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,4-tetrafluoro-3-pyridin-2-ylbutan-2-ol is sourced from PubChem (CID 176556814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).