N-(3,5-difluorophenyl)-2,2,3,3,3-pentafluoropropanamide

C9H4F7NO — CID 114038120

IUPACN-(3,5-difluorophenyl)-2,2,3,3,3-pentafluoropropanamide
SMILESO=C(Nc1cc(F)cc(F)c1)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H4F7NO/c10-4-1-5(11)3-6(2-4)17-7(18)8(12,13)9(14,15)16/h1-3H,(H,17,18)
InChIKeyWOHABPAHVOOEBP-UHFFFAOYSA-N
MW275.12 g/mol
LogP3.10
Rot. Bonds2

About N-(3,5-difluorophenyl)-2,2,3,3,3-pentafluoropropanamide

N-(3,5-difluorophenyl)-2,2,3,3,3-pentafluoropropanamide (PubChem CID 114038120) has the molecular formula C9H4F7NO and a molecular weight of 275.12 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-2,2,3,3,3-pentafluoropropanamide.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-2,2,3,3,3-pentafluoropropanamide
PubChem CID114038120
Molecular FormulaC9H4F7NO
Molecular Weight275.12 g/mol
Exact Mass275.02
IUPAC NameN-(3,5-difluorophenyl)-2,2,3,3,3-pentafluoropropanamide
SMILESO=C(Nc1cc(F)cc(F)c1)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H4F7NO/c10-4-1-5(11)3-6(2-4)17-7(18)8(12,13)9(14,15)16/h1-3H,(H,17,18)
InChIKeyWOHABPAHVOOEBP-UHFFFAOYSA-N
XLogP3.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.12
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,3,3-pentafluoro-N-(4-fluorophenyl)propanamide
CID 532140
2-bromo-N-(3,5-difluorophenyl)-2-methylpropanamide
CID 116816877
N-(4-bromo-3-fluorophenyl)-2,2,3,3,3-pentafluoropropanamide
CID 114037844
N-(4-bromophenyl)-2,2,3,3,3-pentafluoropropanamide
CID 532144
4-(2,2,3,3,3-pentafluoropropanoylamino)benzoic acid
CID 6612355
N-(3,4-dichlorophenyl)-2,2,3,3,3-pentafluoropropanamide
CID 14274634
ethyl 3-(3,5-difluoroanilino)-2,2-difluoro-3-oxopropanoate
CID 112743060
N-(3,5-difluorophenyl)-2-hydrazinyl-2-oxoacetamide
CID 43164108
2-amino-N-(3-chloro-5-fluorophenyl)-3,3,3-trifluoro-2-methylpropanamide
CID 107365572
N-(3,5-difluorophenyl)-2-methyl-2-phenylpropanamide
CID 47126345
1-(3,5-difluorophenyl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 71568254
9-chloro-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-N-(3-fluorophenyl)nonanamide
CID 4178133

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-2,2,3,3,3-pentafluoropropanamide?
The IUPAC name of N-(3,5-difluorophenyl)-2,2,3,3,3-pentafluoropropanamide (CID 114038120) is N-(3,5-difluorophenyl)-2,2,3,3,3-pentafluoropropanamide.
What is the SMILES notation for N-(3,5-difluorophenyl)-2,2,3,3,3-pentafluoropropanamide?
The canonical SMILES for N-(3,5-difluorophenyl)-2,2,3,3,3-pentafluoropropanamide is O=C(Nc1cc(F)cc(F)c1)C(F)(F)C(F)(F)F.
What is the InChIKey of N-(3,5-difluorophenyl)-2,2,3,3,3-pentafluoropropanamide?
The InChIKey is WOHABPAHVOOEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F7NO/c10-4-1-5(11)3-6(2-4)17-7(18)8(12,13)9(14,15)16/h1-3H,(H,17,18).
What are the key properties of N-(3,5-difluorophenyl)-2,2,3,3,3-pentafluoropropanamide?
N-(3,5-difluorophenyl)-2,2,3,3,3-pentafluoropropanamide has a molecular weight of 275.12 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-2,2,3,3,3-pentafluoropropanamide is sourced from PubChem (CID 114038120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).