2,2-difluoro-N-methoxy-N-methyltetradecanamide

C16H31F2NO2 — CID 89479266

IUPAC2,2-difluoro-N-methoxy-N-methyltetradecanamide
SMILESCCCCCCCCCCCCC(F)(F)C(=O)N(C)OC
InChIInChI=1S/C16H31F2NO2/c1-4-5-6-7-8-9-10-11-12-13-14-16(17,18)15(20)19(2)21-3/h4-14H2,1-3H3
InChIKeyZTDUMWLKOVKBBA-UHFFFAOYSA-N
MW307.43 g/mol
LogP4.95
Rot. Bonds13

About 2,2-difluoro-N-methoxy-N-methyltetradecanamide

2,2-difluoro-N-methoxy-N-methyltetradecanamide (PubChem CID 89479266) has the molecular formula C16H31F2NO2 and a molecular weight of 307.43 g/mol. Its IUPAC name is 2,2-difluoro-N-methoxy-N-methyltetradecanamide.

Molecular Properties

Compound Name2,2-difluoro-N-methoxy-N-methyltetradecanamide
PubChem CID89479266
Molecular FormulaC16H31F2NO2
Molecular Weight307.43 g/mol
Exact Mass307.23
IUPAC Name2,2-difluoro-N-methoxy-N-methyltetradecanamide
SMILESCCCCCCCCCCCCC(F)(F)C(=O)N(C)OC
InChIInChI=1S/C16H31F2NO2/c1-4-5-6-7-8-9-10-11-12-13-14-16(17,18)15(20)19(2)21-3/h4-14H2,1-3H3
InChIKeyZTDUMWLKOVKBBA-UHFFFAOYSA-N
XLogP4.95
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.43
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 2,2-difluoroheptadecanoate
CID 150501536
methyl 2,2-difluorodecanoate
CID 22025599
2,2-difluoro-N-methoxy-N-methylpropanamide
CID 58736313
2,2-difluoroheptanoic acid
CID 14928309
2,2-difluorohexadecanoic acid;molecular hydrogen
CID 91802263
5,5-difluorodecan-4-one
CID 137420614
N-methoxy-N,3-dimethyldec-2-enamide
CID 142294776
2,2-difluorohexadecanoic acid;iodomethane;molecular hydrogen
CID 159949159
N,N-diethyl-2-methyl-2-(trifluoromethyl)octanamide
CID 87943208
11-fluorodocosan-11-yl 2-methylprop-2-enoate
CID 88638006
dimethyl 2,2-di(nonyl)propanedioate
CID 166760695
6,6,7,8,8-pentafluoro-7-hydroperoxytetradecane
CID 166650292

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-methoxy-N-methyltetradecanamide?
The IUPAC name of 2,2-difluoro-N-methoxy-N-methyltetradecanamide (CID 89479266) is 2,2-difluoro-N-methoxy-N-methyltetradecanamide.
What is the SMILES notation for 2,2-difluoro-N-methoxy-N-methyltetradecanamide?
The canonical SMILES for 2,2-difluoro-N-methoxy-N-methyltetradecanamide is CCCCCCCCCCCCC(F)(F)C(=O)N(C)OC.
What is the InChIKey of 2,2-difluoro-N-methoxy-N-methyltetradecanamide?
The InChIKey is ZTDUMWLKOVKBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31F2NO2/c1-4-5-6-7-8-9-10-11-12-13-14-16(17,18)15(20)19(2)21-3/h4-14H2,1-3H3.
What are the key properties of 2,2-difluoro-N-methoxy-N-methyltetradecanamide?
2,2-difluoro-N-methoxy-N-methyltetradecanamide has a molecular weight of 307.43 g/mol, XLogP of 4.95, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-methoxy-N-methyltetradecanamide is sourced from PubChem (CID 89479266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).