N-(3-chloro-4-fluorophenyl)-2,2,3,3-tetrafluoropropanamide

C9H5ClF5NO — CID 113250773

IUPACN-(3-chloro-4-fluorophenyl)-2,2,3,3-tetrafluoropropanamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)C(F)(F)C(F)F
InChIInChI=1S/C9H5ClF5NO/c10-5-3-4(1-2-6(5)11)16-8(17)9(14,15)7(12)13/h1-3,7H,(H,16,17)
InChIKeyPKDPPIGDGQDZFR-UHFFFAOYSA-N
MW273.59 g/mol
LogP3.32
Rot. Bonds3

About N-(3-chloro-4-fluorophenyl)-2,2,3,3-tetrafluoropropanamide

N-(3-chloro-4-fluorophenyl)-2,2,3,3-tetrafluoropropanamide (PubChem CID 113250773) has the molecular formula C9H5ClF5NO and a molecular weight of 273.59 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2,2,3,3-tetrafluoropropanamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2,2,3,3-tetrafluoropropanamide
PubChem CID113250773
Molecular FormulaC9H5ClF5NO
Molecular Weight273.59 g/mol
Exact Mass273.00
IUPAC NameN-(3-chloro-4-fluorophenyl)-2,2,3,3-tetrafluoropropanamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)C(F)(F)C(F)F
InChIInChI=1S/C9H5ClF5NO/c10-5-3-4(1-2-6(5)11)16-8(17)9(14,15)7(12)13/h1-3,7H,(H,16,17)
InChIKeyPKDPPIGDGQDZFR-UHFFFAOYSA-N
XLogP3.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.59
LogP ≤ 53.32
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

N-[(3-chloro-4-fluorophenyl)methyl]-2,2,3,3-tetrafluoropropanamide
CID 103733439
N-(3-chloro-4-fluorophenyl)-2,3,3,3-tetrafluoro-2-methoxypropanamide
CID 2902173
N-(3-chloro-4-fluorophenyl)-2,2-bis(trifluoromethyl)but-3-enamide
CID 71672811
N'-(3-chloro-4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]oxamide
CID 108530569
N-(2-chloro-4,6-difluorophenyl)-2,2,3,3-tetrafluoropropanamide
CID 103878394
N-(3-chloro-4-fluorophenyl)-2-methyl-2-phenylpropanamide
CID 9096519
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2,3,3-tetrafluoropropanamide
CID 103731825
N-(4-chloro-2-iodophenyl)-2,2,3,3-tetrafluoropropanamide
CID 103766915
N-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)benzamide
CID 2083480
N-[2-chloro-5-(propanoylamino)phenyl]-2,2,3,3-tetrafluoropropanamide
CID 103733189
4-[(3-chloro-4-fluorophenyl)carbamoyl]benzoic acid
CID 43386528
4-(2,2,3,3-tetrafluoropropanoylamino)benzenesulfonyl chloride
CID 114032743

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2,2,3,3-tetrafluoropropanamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2,2,3,3-tetrafluoropropanamide (CID 113250773) is N-(3-chloro-4-fluorophenyl)-2,2,3,3-tetrafluoropropanamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2,2,3,3-tetrafluoropropanamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2,2,3,3-tetrafluoropropanamide is O=C(Nc1ccc(F)c(Cl)c1)C(F)(F)C(F)F.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2,2,3,3-tetrafluoropropanamide?
The InChIKey is PKDPPIGDGQDZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClF5NO/c10-5-3-4(1-2-6(5)11)16-8(17)9(14,15)7(12)13/h1-3,7H,(H,16,17).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2,2,3,3-tetrafluoropropanamide?
N-(3-chloro-4-fluorophenyl)-2,2,3,3-tetrafluoropropanamide has a molecular weight of 273.59 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2,2,3,3-tetrafluoropropanamide is sourced from PubChem (CID 113250773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).