N-(2-chloro-5-methylphenyl)-2,2,3,3-tetrafluoropropanamide

C10H8ClF4NO — CID 103769557

IUPACN-(2-chloro-5-methylphenyl)-2,2,3,3-tetrafluoropropanamide
SMILESCc1ccc(Cl)c(NC(=O)C(F)(F)C(F)F)c1
InChIInChI=1S/C10H8ClF4NO/c1-5-2-3-6(11)7(4-5)16-9(17)10(14,15)8(12)13/h2-4,8H,1H3,(H,16,17)
InChIKeyRIOSTBAKCQHYOW-UHFFFAOYSA-N
MW269.63 g/mol
LogP3.49
Rot. Bonds3

About N-(2-chloro-5-methylphenyl)-2,2,3,3-tetrafluoropropanamide

N-(2-chloro-5-methylphenyl)-2,2,3,3-tetrafluoropropanamide (PubChem CID 103769557) has the molecular formula C10H8ClF4NO and a molecular weight of 269.63 g/mol. Its IUPAC name is N-(2-chloro-5-methylphenyl)-2,2,3,3-tetrafluoropropanamide.

Molecular Properties

Compound NameN-(2-chloro-5-methylphenyl)-2,2,3,3-tetrafluoropropanamide
PubChem CID103769557
Molecular FormulaC10H8ClF4NO
Molecular Weight269.63 g/mol
Exact Mass269.02
IUPAC NameN-(2-chloro-5-methylphenyl)-2,2,3,3-tetrafluoropropanamide
SMILESCc1ccc(Cl)c(NC(=O)C(F)(F)C(F)F)c1
InChIInChI=1S/C10H8ClF4NO/c1-5-2-3-6(11)7(4-5)16-9(17)10(14,15)8(12)13/h2-4,8H,1H3,(H,16,17)
InChIKeyRIOSTBAKCQHYOW-UHFFFAOYSA-N
XLogP3.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.63
LogP ≤ 53.49
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-(2-amino-5-methylphenyl)-2,2,3,3-tetrafluoropropanamide
CID 114032448
N-(2-chloro-5-methoxyphenyl)-2,2,3,3-tetrafluoropropanamide
CID 103733277
2,2,3,3-tetrafluoro-N-(2-methoxy-5-methylphenyl)propanamide
CID 113250776
N-[2-chloro-5-(propanoylamino)phenyl]-2,2,3,3-tetrafluoropropanamide
CID 103733189
N-(4-amino-2-chlorophenyl)-2,2,3,3-tetrafluoropropanamide
CID 114032415
N-(2-chloro-4,6-dimethylphenyl)-2,2,3,3-tetrafluoropropanamide
CID 113251859
2,2,3,3-tetrafluoro-N-[2-(2-methoxyethoxy)-4-methylphenyl]propanamide
CID 103733044
N-(4-chloro-2-iodophenyl)-2,2,3,3-tetrafluoropropanamide
CID 103766915
2-bromo-N-(2-chloro-5-methylphenyl)acetamide
CID 82111012
2-amino-N-(2-chloro-5-methylphenyl)propanamide;hydrochloride
CID 119279638
N-(3-chloro-4-fluorophenyl)-2,2,3,3-tetrafluoropropanamide
CID 113250773
N-(3-chloro-4-hydroxyphenyl)-2,2,3,3-tetrafluoropropanamide
CID 113368357

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methylphenyl)-2,2,3,3-tetrafluoropropanamide?
The IUPAC name of N-(2-chloro-5-methylphenyl)-2,2,3,3-tetrafluoropropanamide (CID 103769557) is N-(2-chloro-5-methylphenyl)-2,2,3,3-tetrafluoropropanamide.
What is the SMILES notation for N-(2-chloro-5-methylphenyl)-2,2,3,3-tetrafluoropropanamide?
The canonical SMILES for N-(2-chloro-5-methylphenyl)-2,2,3,3-tetrafluoropropanamide is Cc1ccc(Cl)c(NC(=O)C(F)(F)C(F)F)c1.
What is the InChIKey of N-(2-chloro-5-methylphenyl)-2,2,3,3-tetrafluoropropanamide?
The InChIKey is RIOSTBAKCQHYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClF4NO/c1-5-2-3-6(11)7(4-5)16-9(17)10(14,15)8(12)13/h2-4,8H,1H3,(H,16,17).
What are the key properties of N-(2-chloro-5-methylphenyl)-2,2,3,3-tetrafluoropropanamide?
N-(2-chloro-5-methylphenyl)-2,2,3,3-tetrafluoropropanamide has a molecular weight of 269.63 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-methylphenyl)-2,2,3,3-tetrafluoropropanamide is sourced from PubChem (CID 103769557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).