1,1-difluoro-2-(5-fluoro-2-pyridinyl)butan-2-ol

C9H10F3NO — CID 112585936

IUPAC1,1-difluoro-2-(5-fluoro-2-pyridinyl)butan-2-ol
SMILESCCC(O)(c1ccc(F)cn1)C(F)F
InChIInChI=1S/C9H10F3NO/c1-2-9(14,8(11)12)7-4-3-6(10)5-13-7/h3-5,8,14H,2H2,1H3
InChIKeyLBSRGKLRTZACBK-UHFFFAOYSA-N
MW205.18 g/mol
LogP2.08
Rot. Bonds3

About 1,1-difluoro-2-(5-fluoro-2-pyridinyl)butan-2-ol

1,1-difluoro-2-(5-fluoro-2-pyridinyl)butan-2-ol (PubChem CID 112585936) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is 1,1-difluoro-2-(5-fluoro-2-pyridinyl)butan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-2-(5-fluoro-2-pyridinyl)butan-2-ol
PubChem CID112585936
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name1,1-difluoro-2-(5-fluoro-2-pyridinyl)butan-2-ol
SMILESCCC(O)(c1ccc(F)cn1)C(F)F
InChIInChI=1S/C9H10F3NO/c1-2-9(14,8(11)12)7-4-3-6(10)5-13-7/h3-5,8,14H,2H2,1H3
InChIKeyLBSRGKLRTZACBK-UHFFFAOYSA-N
XLogP2.08
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-3-(5-fluoro-2-pyridinyl)-3-hydroxypentanoic acid
CID 112586440
2-(ethylamino)-3-(5-fluoro-2-pyridinyl)pentan-3-ol
CID 112585862
2-(5-fluoro-2-pyridinyl)butan-2-ol
CID 83124844
3-(5-fluoro-2-pyridinyl)-3-hydroxy-2-propylpentanoic acid
CID 112586443
1-(3,5-dimethylphenyl)-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 112585875
1-(5-fluoro-2-pyridinyl)-1-(2,3,4-trifluorophenyl)propan-1-ol
CID 115940730
N-ethyl-1,1-difluoro-2-(5-fluoro-2-pyridinyl)butan-2-amine
CID 112586578
1-(3,4-dichlorophenyl)-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 112585922
2-(5-fluoro-2-pyridinyl)-1-(methylamino)butan-2-ol
CID 112586602
3-(5-fluoro-2-pyridinyl)hex-5-en-3-ol
CID 112585804
1-(5-fluoro-2-pyridinyl)-1-(1-methylimidazol-2-yl)propan-1-ol
CID 112585794
1-(5-fluoro-2-pyridinyl)-1-(4-methoxy-2-methylphenyl)propan-1-ol
CID 115940675

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2-(5-fluoro-2-pyridinyl)butan-2-ol?
The IUPAC name of 1,1-difluoro-2-(5-fluoro-2-pyridinyl)butan-2-ol (CID 112585936) is 1,1-difluoro-2-(5-fluoro-2-pyridinyl)butan-2-ol.
What is the SMILES notation for 1,1-difluoro-2-(5-fluoro-2-pyridinyl)butan-2-ol?
The canonical SMILES for 1,1-difluoro-2-(5-fluoro-2-pyridinyl)butan-2-ol is CCC(O)(c1ccc(F)cn1)C(F)F.
What is the InChIKey of 1,1-difluoro-2-(5-fluoro-2-pyridinyl)butan-2-ol?
The InChIKey is LBSRGKLRTZACBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO/c1-2-9(14,8(11)12)7-4-3-6(10)5-13-7/h3-5,8,14H,2H2,1H3.
What are the key properties of 1,1-difluoro-2-(5-fluoro-2-pyridinyl)butan-2-ol?
1,1-difluoro-2-(5-fluoro-2-pyridinyl)butan-2-ol has a molecular weight of 205.18 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2-(5-fluoro-2-pyridinyl)butan-2-ol is sourced from PubChem (CID 112585936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).