2,2-difluoroheptanoic acid

C7H12F2O2 — CID 14928309

IUPAC2,2-difluoroheptanoic acid
SMILESCCCCCC(F)(F)C(=O)O
InChIInChI=1S/C7H12F2O2/c1-2-3-4-5-7(8,9)6(10)11/h2-5H2,1H3,(H,10,11)
InChIKeyFCNMKOBNDDSFIU-UHFFFAOYSA-N
MW166.17 g/mol
LogP2.29
Rot. Bonds5

About 2,2-difluoroheptanoic acid

2,2-difluoroheptanoic acid (PubChem CID 14928309) has the molecular formula C7H12F2O2 and a molecular weight of 166.17 g/mol. Its IUPAC name is 2,2-difluoroheptanoic acid.

Molecular Properties

Compound Name2,2-difluoroheptanoic acid
PubChem CID14928309
Molecular FormulaC7H12F2O2
Molecular Weight166.17 g/mol
Exact Mass166.08
IUPAC Name2,2-difluoroheptanoic acid
SMILESCCCCCC(F)(F)C(=O)O
InChIInChI=1S/C7H12F2O2/c1-2-3-4-5-7(8,9)6(10)11/h2-5H2,1H3,(H,10,11)
InChIKeyFCNMKOBNDDSFIU-UHFFFAOYSA-N
XLogP2.29
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.17
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2-difluorohexadecanoic acid;molecular hydrogen
CID 91802263
2,2-difluorohexadecanoic acid;iodomethane;molecular hydrogen
CID 159949159
5,5-difluorodecan-4-one
CID 137420614
methyl 2,2-difluoroheptadecanoate
CID 150501536
(2S)-2-hydroxy-2-(trifluoromethyl)heptanoic acid
CID 139819662
methyl 2,2-difluorodecanoate
CID 22025599
2-methylnonan-2-ol;2,2,2-trifluoroacetic acid
CID 87138698
2,2-difluoro-3-hydroxy-3-methyloctanoic acid
CID 80558605
pentane;2,2,2-trifluoroacetic acid
CID 161039566
triacontane-1,1,1-tricarboxylic acid
CID 141175641
2-hydroxy-2-methylheptadecanoic acid
CID 19591844
2,9-dihexyl-2,9-dioctyldecanedioic acid
CID 172763339

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoroheptanoic acid?
The IUPAC name of 2,2-difluoroheptanoic acid (CID 14928309) is 2,2-difluoroheptanoic acid.
What is the SMILES notation for 2,2-difluoroheptanoic acid?
The canonical SMILES for 2,2-difluoroheptanoic acid is CCCCCC(F)(F)C(=O)O.
What is the InChIKey of 2,2-difluoroheptanoic acid?
The InChIKey is FCNMKOBNDDSFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2O2/c1-2-3-4-5-7(8,9)6(10)11/h2-5H2,1H3,(H,10,11).
What are the key properties of 2,2-difluoroheptanoic acid?
2,2-difluoroheptanoic acid has a molecular weight of 166.17 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoroheptanoic acid is sourced from PubChem (CID 14928309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).