2,2,3,3,3-pentafluoro-N-(1-methoxy-2-methylpropan-2-yl)-N-methylpropanamide

C9H14F5NO2 — CID 91723616

IUPAC2,2,3,3,3-pentafluoro-N-(1-methoxy-2-methylpropan-2-yl)-N-methylpropanamide
SMILESCOCC(C)(C)N(C)C(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H14F5NO2/c1-7(2,5-17-4)15(3)6(16)8(10,11)9(12,13)14/h5H2,1-4H3
InChIKeyYQMTYWOWOLERNW-UHFFFAOYSA-N
MW263.21 g/mol
LogP2.07
Rot. Bonds4

About 2,2,3,3,3-pentafluoro-N-(1-methoxy-2-methylpropan-2-yl)-N-methylpropanamide

2,2,3,3,3-pentafluoro-N-(1-methoxy-2-methylpropan-2-yl)-N-methylpropanamide (PubChem CID 91723616) has the molecular formula C9H14F5NO2 and a molecular weight of 263.21 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-N-(1-methoxy-2-methylpropan-2-yl)-N-methylpropanamide.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-N-(1-methoxy-2-methylpropan-2-yl)-N-methylpropanamide
PubChem CID91723616
Molecular FormulaC9H14F5NO2
Molecular Weight263.21 g/mol
Exact Mass263.09
IUPAC Name2,2,3,3,3-pentafluoro-N-(1-methoxy-2-methylpropan-2-yl)-N-methylpropanamide
SMILESCOCC(C)(C)N(C)C(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H14F5NO2/c1-7(2,5-17-4)15(3)6(16)8(10,11)9(12,13)14/h5H2,1-4H3
InChIKeyYQMTYWOWOLERNW-UHFFFAOYSA-N
XLogP2.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.21
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-difluoro-N,N-bis(2-methoxyethyl)propanamide
CID 10922182
2,2,3-trifluoro-N,N-bis(2-methoxyethyl)propanamide
CID 60105105
2,2,2-trifluoro-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide
CID 62728774
N-butan-2-yl-2,2,2-trifluoro-N-(2-methoxyethyl)acetamide
CID 63821959
3,3,3-trifluoro-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-(trifluoromethyl)propanamide
CID 103310231
2,2-difluoro-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide
CID 103514776
N-butan-2-yl-2,2-difluoro-N-(2-methoxyethyl)acetamide
CID 103515693
2,2,3,3-tetrafluoro-N,N-bis(2-methoxyethyl)propanamide
CID 103731888
N-ethyl-2,2,3,3-tetrafluoro-N-(2-methoxyethyl)propanamide
CID 103732659
2,2,3,3-tetrafluoro-N-(2-methoxyethyl)-N-(2-methylpropyl)propanamide
CID 103732664
N-cyclopropyl-2,2,3,3-tetrafluoro-N-(2-methoxyethyl)propanamide
CID 103732937
2,2,3,3-tetrafluoro-N-(1-methoxypropan-2-yl)-N-methylpropanamide
CID 103732965

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoro-N-(1-methoxy-2-methylpropan-2-yl)-N-methylpropanamide?
The IUPAC name of 2,2,3,3,3-pentafluoro-N-(1-methoxy-2-methylpropan-2-yl)-N-methylpropanamide (CID 91723616) is 2,2,3,3,3-pentafluoro-N-(1-methoxy-2-methylpropan-2-yl)-N-methylpropanamide.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-N-(1-methoxy-2-methylpropan-2-yl)-N-methylpropanamide?
The canonical SMILES for 2,2,3,3,3-pentafluoro-N-(1-methoxy-2-methylpropan-2-yl)-N-methylpropanamide is COCC(C)(C)N(C)C(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoro-N-(1-methoxy-2-methylpropan-2-yl)-N-methylpropanamide?
The InChIKey is YQMTYWOWOLERNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F5NO2/c1-7(2,5-17-4)15(3)6(16)8(10,11)9(12,13)14/h5H2,1-4H3.
What are the key properties of 2,2,3,3,3-pentafluoro-N-(1-methoxy-2-methylpropan-2-yl)-N-methylpropanamide?
2,2,3,3,3-pentafluoro-N-(1-methoxy-2-methylpropan-2-yl)-N-methylpropanamide has a molecular weight of 263.21 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-N-(1-methoxy-2-methylpropan-2-yl)-N-methylpropanamide is sourced from PubChem (CID 91723616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).