2,2-difluorohexadecanoic acid;molecular hydrogen

C16H32F2O2 — CID 91802263

IUPAC2,2-difluorohexadecanoic acid;molecular hydrogen
SMILESCCCCCCCCCCCCCCC(F)(F)C(=O)O.[H][H]
InChIInChI=1S/C16H30F2O2.H2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(17,18)15(19)20;/h2-14H2,1H3,(H,19,20);1H
InChIKeyUPBICMWRWMKHFE-UHFFFAOYSA-N
MW294.43 g/mol
LogP6.04
Rot. Bonds14

About 2,2-difluorohexadecanoic acid;molecular hydrogen

2,2-difluorohexadecanoic acid;molecular hydrogen (PubChem CID 91802263) has the molecular formula C16H32F2O2 and a molecular weight of 294.43 g/mol. Its IUPAC name is 2,2-difluorohexadecanoic acid;molecular hydrogen.

Molecular Properties

Compound Name2,2-difluorohexadecanoic acid;molecular hydrogen
PubChem CID91802263
Molecular FormulaC16H32F2O2
Molecular Weight294.43 g/mol
Exact Mass294.24
IUPAC Name2,2-difluorohexadecanoic acid;molecular hydrogen
SMILESCCCCCCCCCCCCCCC(F)(F)C(=O)O.[H][H]
InChIInChI=1S/C16H30F2O2.H2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(17,18)15(19)20;/h2-14H2,1H3,(H,19,20);1H
InChIKeyUPBICMWRWMKHFE-UHFFFAOYSA-N
XLogP6.04
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.43
LogP ≤ 56.04
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;iodomethane;molecular hydrogen
CID 159949159
2,2-difluoroheptanoic acid
CID 14928309
methyl 2,2-difluoroheptadecanoate
CID 150501536
methyl 2,2-difluorodecanoate
CID 22025599
2-methylnonan-2-ol;2,2,2-trifluoroacetic acid
CID 87138698
2-dodecyl-2-octyltetradecanoic acid
CID 24889792
2,2-dihexyldecanoic acid
CID 57072933
2-hydroxy-2-methylheptadecanoic acid
CID 19591844
2,9-dihexyl-2,9-dioctyldecanedioic acid
CID 172763339
octadecane-1,1,1-tricarboxylic acid
CID 57231234
(2R)-2-hydroxy-2-methyloctadecanoic acid
CID 172684339
triacontane-1,1,1-tricarboxylic acid
CID 141175641

Frequently Asked Questions

What is the IUPAC name of 2,2-difluorohexadecanoic acid;molecular hydrogen?
The IUPAC name of 2,2-difluorohexadecanoic acid;molecular hydrogen (CID 91802263) is 2,2-difluorohexadecanoic acid;molecular hydrogen.
What is the SMILES notation for 2,2-difluorohexadecanoic acid;molecular hydrogen?
The canonical SMILES for 2,2-difluorohexadecanoic acid;molecular hydrogen is CCCCCCCCCCCCCCC(F)(F)C(=O)O.[H][H].
What is the InChIKey of 2,2-difluorohexadecanoic acid;molecular hydrogen?
The InChIKey is UPBICMWRWMKHFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30F2O2.H2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16(17,18)15(19)20;/h2-14H2,1H3,(H,19,20);1H.
What are the key properties of 2,2-difluorohexadecanoic acid;molecular hydrogen?
2,2-difluorohexadecanoic acid;molecular hydrogen has a molecular weight of 294.43 g/mol, XLogP of 6.04, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluorohexadecanoic acid;molecular hydrogen is sourced from PubChem (CID 91802263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).