2,2-difluoro-N-(2-methylpropyl)tridecanamide

C17H33F2NO — CID 138530179

IUPAC2,2-difluoro-N-(2-methylpropyl)tridecanamide
SMILESCCCCCCCCCCCC(F)(F)C(=O)NCC(C)C
InChIInChI=1S/C17H33F2NO/c1-4-5-6-7-8-9-10-11-12-13-17(18,19)16(21)20-14-15(2)3/h15H,4-14H2,1-3H3,(H,20,21)
InChIKeyKWTOGSQPJVUCMN-UHFFFAOYSA-N
MW305.45 g/mol
LogP5.31
Rot. Bonds13

About 2,2-difluoro-N-(2-methylpropyl)tridecanamide

2,2-difluoro-N-(2-methylpropyl)tridecanamide (PubChem CID 138530179) has the molecular formula C17H33F2NO and a molecular weight of 305.45 g/mol. Its IUPAC name is 2,2-difluoro-N-(2-methylpropyl)tridecanamide.

Molecular Properties

Compound Name2,2-difluoro-N-(2-methylpropyl)tridecanamide
PubChem CID138530179
Molecular FormulaC17H33F2NO
Molecular Weight305.45 g/mol
Exact Mass305.25
IUPAC Name2,2-difluoro-N-(2-methylpropyl)tridecanamide
SMILESCCCCCCCCCCCC(F)(F)C(=O)NCC(C)C
InChIInChI=1S/C17H33F2NO/c1-4-5-6-7-8-9-10-11-12-13-17(18,19)16(21)20-14-15(2)3/h15H,4-14H2,1-3H3,(H,20,21)
InChIKeyKWTOGSQPJVUCMN-UHFFFAOYSA-N
XLogP5.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.45
LogP ≤ 55.31
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-difluoroheptanoic acid
CID 14928309
2,2-difluorohexadecanoic acid;molecular hydrogen
CID 91802263
methyl 2,2-difluoroheptadecanoate
CID 150501536
3,3,3-trifluoro-2,2-dimethyl-N-(2-methylpropyl)propanamide
CID 164555722
methyl 2,2-difluorodecanoate
CID 22025599
2,2-dimethyl-N-(2-methylpropyl)butanamide
CID 4634733
(2S)-2-(2,2-difluorodecanoylamino)-4-hydroxybutanoic acid
CID 54143537
2,2-difluorohexadecanoic acid;iodomethane;molecular hydrogen
CID 159949159
9-fluoropentacosan-9-ol
CID 139794548
2,2,3,3,4,4,5,5,5-nonafluoro-N-(2-methylpropyl)pentanamide
CID 4123450
5,5-difluorodecan-4-one
CID 137420614
2,2-dioctyl-N,N'-bis[(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexyl]propanediamide
CID 11331247

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(2-methylpropyl)tridecanamide?
The IUPAC name of 2,2-difluoro-N-(2-methylpropyl)tridecanamide (CID 138530179) is 2,2-difluoro-N-(2-methylpropyl)tridecanamide.
What is the SMILES notation for 2,2-difluoro-N-(2-methylpropyl)tridecanamide?
The canonical SMILES for 2,2-difluoro-N-(2-methylpropyl)tridecanamide is CCCCCCCCCCCC(F)(F)C(=O)NCC(C)C.
What is the InChIKey of 2,2-difluoro-N-(2-methylpropyl)tridecanamide?
The InChIKey is KWTOGSQPJVUCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33F2NO/c1-4-5-6-7-8-9-10-11-12-13-17(18,19)16(21)20-14-15(2)3/h15H,4-14H2,1-3H3,(H,20,21).
What are the key properties of 2,2-difluoro-N-(2-methylpropyl)tridecanamide?
2,2-difluoro-N-(2-methylpropyl)tridecanamide has a molecular weight of 305.45 g/mol, XLogP of 5.31, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(2-methylpropyl)tridecanamide is sourced from PubChem (CID 138530179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).