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

C9H6ClF4NO2 — CID 113368357

IUPACN-(3-chloro-4-hydroxyphenyl)-2,2,3,3-tetrafluoropropanamide
SMILESO=C(Nc1ccc(O)c(Cl)c1)C(F)(F)C(F)F
InChIInChI=1S/C9H6ClF4NO2/c10-5-3-4(1-2-6(5)16)15-8(17)9(13,14)7(11)12/h1-3,7,16H,(H,15,17)
InChIKeyZQHRSILGZUMJHN-UHFFFAOYSA-N
MW271.60 g/mol
LogP2.88
Rot. Bonds3

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

N-(3-chloro-4-hydroxyphenyl)-2,2,3,3-tetrafluoropropanamide (PubChem CID 113368357) has the molecular formula C9H6ClF4NO2 and a molecular weight of 271.60 g/mol. Its IUPAC name is N-(3-chloro-4-hydroxyphenyl)-2,2,3,3-tetrafluoropropanamide.

Molecular Properties

Compound NameN-(3-chloro-4-hydroxyphenyl)-2,2,3,3-tetrafluoropropanamide
PubChem CID113368357
Molecular FormulaC9H6ClF4NO2
Molecular Weight271.60 g/mol
Exact Mass271.00
IUPAC NameN-(3-chloro-4-hydroxyphenyl)-2,2,3,3-tetrafluoropropanamide
SMILESO=C(Nc1ccc(O)c(Cl)c1)C(F)(F)C(F)F
InChIInChI=1S/C9H6ClF4NO2/c10-5-3-4(1-2-6(5)16)15-8(17)9(13,14)7(11)12/h1-3,7,16H,(H,15,17)
InChIKeyZQHRSILGZUMJHN-UHFFFAOYSA-N
XLogP2.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.60
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2,2,3,3-tetrafluoropropanamide
CID 113250773
N-(4-acetamidophenyl)-2,2,3,3-tetrafluoropropanamide
CID 103731824
2,2,3,3-tetrafluoro-N-(4-fluorophenyl)propanamide
CID 103731851
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2,3,3-tetrafluoropropanamide
CID 103731825
N-[2-chloro-5-(propanoylamino)phenyl]-2,2,3,3-tetrafluoropropanamide
CID 103733189
4-(2,2,3,3-tetrafluoropropanoylamino)benzenesulfonyl chloride
CID 114032743
2,2,3,3-tetrafluoro-N-(1H-indol-5-yl)propanamide
CID 103732445
2-bromo-5-(2,2,3,3-tetrafluoropropanoylamino)benzoic acid
CID 114032535
1-(3-chloro-4-hydroxyphenyl)-3-(3,4-dichlorophenyl)urea
CID 64788304
N-(4-amino-2-chlorophenyl)-2,2,3,3-tetrafluoropropanamide
CID 114032415
methyl N-(3-chloro-4-hydroxyphenyl)carbamate
CID 18932212
N-(4-ethylphenyl)-2,2,3,3-tetrafluoropropanamide
CID 103731916

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-hydroxyphenyl)-2,2,3,3-tetrafluoropropanamide?
The IUPAC name of N-(3-chloro-4-hydroxyphenyl)-2,2,3,3-tetrafluoropropanamide (CID 113368357) is N-(3-chloro-4-hydroxyphenyl)-2,2,3,3-tetrafluoropropanamide.
What is the SMILES notation for N-(3-chloro-4-hydroxyphenyl)-2,2,3,3-tetrafluoropropanamide?
The canonical SMILES for N-(3-chloro-4-hydroxyphenyl)-2,2,3,3-tetrafluoropropanamide is O=C(Nc1ccc(O)c(Cl)c1)C(F)(F)C(F)F.
What is the InChIKey of N-(3-chloro-4-hydroxyphenyl)-2,2,3,3-tetrafluoropropanamide?
The InChIKey is ZQHRSILGZUMJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClF4NO2/c10-5-3-4(1-2-6(5)16)15-8(17)9(13,14)7(11)12/h1-3,7,16H,(H,15,17).
What are the key properties of N-(3-chloro-4-hydroxyphenyl)-2,2,3,3-tetrafluoropropanamide?
N-(3-chloro-4-hydroxyphenyl)-2,2,3,3-tetrafluoropropanamide has a molecular weight of 271.60 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-hydroxyphenyl)-2,2,3,3-tetrafluoropropanamide is sourced from PubChem (CID 113368357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).