acetic acid;2-(1,1-difluoroethyl)pyridine

C9H11F2NO2 — CID 174788262

IUPACacetic acid;2-(1,1-difluoroethyl)pyridine
SMILESCC(=O)O.CC(F)(F)c1ccccn1
InChIInChI=1S/C7H7F2N.C2H4O2/c1-7(8,9)6-4-2-3-5-10-6;1-2(3)4/h2-5H,1H3;1H3,(H,3,4)
InChIKeyAJUHHWOKIARNNH-UHFFFAOYSA-N
MW203.19 g/mol
LogP2.28
Rot. Bonds1

About acetic acid;2-(1,1-difluoroethyl)pyridine

acetic acid;2-(1,1-difluoroethyl)pyridine (PubChem CID 174788262) has the molecular formula C9H11F2NO2 and a molecular weight of 203.19 g/mol. Its IUPAC name is acetic acid;2-(1,1-difluoroethyl)pyridine.

Molecular Properties

Compound Nameacetic acid;2-(1,1-difluoroethyl)pyridine
PubChem CID174788262
Molecular FormulaC9H11F2NO2
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC Nameacetic acid;2-(1,1-difluoroethyl)pyridine
SMILESCC(=O)O.CC(F)(F)c1ccccn1
InChIInChI=1S/C7H7F2N.C2H4O2/c1-7(8,9)6-4-2-3-5-10-6;1-2(3)4/h2-5H,1H3;1H3,(H,3,4)
InChIKeyAJUHHWOKIARNNH-UHFFFAOYSA-N
XLogP2.28
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-hydroxy-1-phenyl-1-pyridin-2-ylpropan-2-one
CID 142148920
2-amino-2-pyridin-2-ylpropanoic acid
CID 4241373
2-pyridin-2-yl-2-(2,2,2-trifluoroethoxy)propanoic acid
CID 114992469
2-(2-chloro-1,1,1-trifluoropropan-2-yl)pyridine
CID 146396997
(1-fluoro-1-pyridin-2-ylethyl) carbamate
CID 66697846
2,2-dimethylpropanoic acid;pyridin-2-amine
CID 175228101
ethane;2-methyl-1-phenyl-2-pyridin-2-ylpropan-1-one
CID 91491715
bis(tert-butylbenzene);bis(2-tert-butylpyridine);ethane;1,1,1-trifluoroethane
CID 158321233
4-methyl-5-oxo-4-pyridin-2-ylhexanoic acid
CID 10632775
4-methyl-4-pyridin-2-ylpentanoic acid
CID 10655411
2-cyclopropyl-2-pyridin-2-ylpropanoic acid
CID 70421817
methyl 2-methyl-2-pyridin-2-ylpropanoate
CID 58077167

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-(1,1-difluoroethyl)pyridine?
The IUPAC name of acetic acid;2-(1,1-difluoroethyl)pyridine (CID 174788262) is acetic acid;2-(1,1-difluoroethyl)pyridine.
What is the SMILES notation for acetic acid;2-(1,1-difluoroethyl)pyridine?
The canonical SMILES for acetic acid;2-(1,1-difluoroethyl)pyridine is CC(=O)O.CC(F)(F)c1ccccn1.
What is the InChIKey of acetic acid;2-(1,1-difluoroethyl)pyridine?
The InChIKey is AJUHHWOKIARNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2N.C2H4O2/c1-7(8,9)6-4-2-3-5-10-6;1-2(3)4/h2-5H,1H3;1H3,(H,3,4).
What are the key properties of acetic acid;2-(1,1-difluoroethyl)pyridine?
acetic acid;2-(1,1-difluoroethyl)pyridine has a molecular weight of 203.19 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-(1,1-difluoroethyl)pyridine is sourced from PubChem (CID 174788262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).