2,2-difluoro-2-(2-oxocyclohexyl)acetic acid

C8H10F2O3 — CID 84719815

IUPAC2,2-difluoro-2-(2-oxocyclohexyl)acetic acid
SMILESO=C1CCCCC1C(F)(F)C(=O)O
InChIInChI=1S/C8H10F2O3/c9-8(10,7(12)13)5-3-1-2-4-6(5)11/h5H,1-4H2,(H,12,13)
InChIKeyZZPDHNUNUGEYAK-UHFFFAOYSA-N
MW192.16 g/mol
LogP1.47
Rot. Bonds2

About 2,2-difluoro-2-(2-oxocyclohexyl)acetic acid

2,2-difluoro-2-(2-oxocyclohexyl)acetic acid (PubChem CID 84719815) has the molecular formula C8H10F2O3 and a molecular weight of 192.16 g/mol. Its IUPAC name is 2,2-difluoro-2-(2-oxocyclohexyl)acetic acid.

Molecular Properties

Compound Name2,2-difluoro-2-(2-oxocyclohexyl)acetic acid
PubChem CID84719815
Molecular FormulaC8H10F2O3
Molecular Weight192.16 g/mol
Exact Mass192.06
IUPAC Name2,2-difluoro-2-(2-oxocyclohexyl)acetic acid
SMILESO=C1CCCCC1C(F)(F)C(=O)O
InChIInChI=1S/C8H10F2O3/c9-8(10,7(12)13)5-3-1-2-4-6(5)11/h5H,1-4H2,(H,12,13)
InChIKeyZZPDHNUNUGEYAK-UHFFFAOYSA-N
XLogP1.47
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.16
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(trifluoromethyl)cyclohexan-1-one
CID 7021848
2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecyl)cyclohexan-1-one
CID 14914260
2-[(2R)-2-hydroxy-3-oxobutan-2-yl]cyclohexan-1-one
CID 14936116
(2S)-2-(2,2,2-trifluoroacetyl)cycloheptan-1-one
CID 98060988
2-oxocyclodecane-1-carboxylic acid
CID 123244832
2-oxocyclohexane-1-carboxylic acid;zirconium
CID 175193773
1-(cyclohexen-1-yl)pyrrolidine;2-(trifluoromethyl)cyclohexan-1-one
CID 158819532
2-phosphanylcyclohexan-1-one;trifluoromethanesulfonic acid
CID 162622821
cyclohexanone;2,2,2-trifluoroacetic acid
CID 175510064
(2S)-2-[(1S)-1-hydroxy-1-phenylpropyl]cyclohexan-1-one
CID 102452040
2-(2-methyl-1-nitro-3-oxobutan-2-yl)cyclohexan-1-one
CID 10398828
N-(2-oxocyclohexyl)-4-(trifluoromethyl)benzamide
CID 67060770

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(2-oxocyclohexyl)acetic acid?
The IUPAC name of 2,2-difluoro-2-(2-oxocyclohexyl)acetic acid (CID 84719815) is 2,2-difluoro-2-(2-oxocyclohexyl)acetic acid.
What is the SMILES notation for 2,2-difluoro-2-(2-oxocyclohexyl)acetic acid?
The canonical SMILES for 2,2-difluoro-2-(2-oxocyclohexyl)acetic acid is O=C1CCCCC1C(F)(F)C(=O)O.
What is the InChIKey of 2,2-difluoro-2-(2-oxocyclohexyl)acetic acid?
The InChIKey is ZZPDHNUNUGEYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2O3/c9-8(10,7(12)13)5-3-1-2-4-6(5)11/h5H,1-4H2,(H,12,13).
What are the key properties of 2,2-difluoro-2-(2-oxocyclohexyl)acetic acid?
2,2-difluoro-2-(2-oxocyclohexyl)acetic acid has a molecular weight of 192.16 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(2-oxocyclohexyl)acetic acid is sourced from PubChem (CID 84719815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).