N-(2-chloro-4,6-difluorophenyl)-2,2,3,3-tetrafluoropropanamide

C9H4ClF6NO — CID 103878394

IUPACN-(2-chloro-4,6-difluorophenyl)-2,2,3,3-tetrafluoropropanamide
SMILESO=C(Nc1c(F)cc(F)cc1Cl)C(F)(F)C(F)F
InChIInChI=1S/C9H4ClF6NO/c10-4-1-3(11)2-5(12)6(4)17-8(18)9(15,16)7(13)14/h1-2,7H,(H,17,18)
InChIKeyFDQMUDIZPMBEQF-UHFFFAOYSA-N
MW291.58 g/mol
LogP3.46
Rot. Bonds3

About N-(2-chloro-4,6-difluorophenyl)-2,2,3,3-tetrafluoropropanamide

N-(2-chloro-4,6-difluorophenyl)-2,2,3,3-tetrafluoropropanamide (PubChem CID 103878394) has the molecular formula C9H4ClF6NO and a molecular weight of 291.58 g/mol. Its IUPAC name is N-(2-chloro-4,6-difluorophenyl)-2,2,3,3-tetrafluoropropanamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-difluorophenyl)-2,2,3,3-tetrafluoropropanamide
PubChem CID103878394
Molecular FormulaC9H4ClF6NO
Molecular Weight291.58 g/mol
Exact Mass290.99
IUPAC NameN-(2-chloro-4,6-difluorophenyl)-2,2,3,3-tetrafluoropropanamide
SMILESO=C(Nc1c(F)cc(F)cc1Cl)C(F)(F)C(F)F
InChIInChI=1S/C9H4ClF6NO/c10-4-1-3(11)2-5(12)6(4)17-8(18)9(15,16)7(13)14/h1-2,7H,(H,17,18)
InChIKeyFDQMUDIZPMBEQF-UHFFFAOYSA-N
XLogP3.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.58
LogP ≤ 53.46
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-chloro-4,6-dimethylphenyl)-2,2,3,3-tetrafluoropropanamide
CID 113251859
1-(2-chloro-4,6-difluorophenyl)-3-methylurea
CID 21161536
1-(2-chloro-4,6-difluorophenyl)-3-propan-2-ylurea
CID 115871702
3-amino-N-(2-chloro-4,6-difluorophenyl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 83087993
3-amino-N-(2-chloro-4,6-difluorophenyl)-2-methoxypropanamide
CID 114145180
2-amino-N-(2-chloro-4,6-difluorophenyl)butanamide
CID 83088281
(2S)-2-amino-N-(2-chloro-4,6-difluorophenyl)butanamide
CID 83087285
2,2,3,3-tetrafluoro-N-(4-fluorophenyl)propanamide
CID 103731851
3-chloro-N-(2,6-dichloro-4-fluorophenyl)-2,2-dimethylpropanamide
CID 83079158
3-amino-N-(2-chloro-4,6-difluorophenyl)-2-methyl-3-sulfanylidenepropanamide
CID 83088109
2-[(2-chloro-4,6-difluorophenyl)carbamoylamino]acetic acid
CID 83087152
N-(3-chloro-4-hydroxyphenyl)-2,2,3,3-tetrafluoropropanamide
CID 113368357

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-difluorophenyl)-2,2,3,3-tetrafluoropropanamide?
The IUPAC name of N-(2-chloro-4,6-difluorophenyl)-2,2,3,3-tetrafluoropropanamide (CID 103878394) is N-(2-chloro-4,6-difluorophenyl)-2,2,3,3-tetrafluoropropanamide.
What is the SMILES notation for N-(2-chloro-4,6-difluorophenyl)-2,2,3,3-tetrafluoropropanamide?
The canonical SMILES for N-(2-chloro-4,6-difluorophenyl)-2,2,3,3-tetrafluoropropanamide is O=C(Nc1c(F)cc(F)cc1Cl)C(F)(F)C(F)F.
What is the InChIKey of N-(2-chloro-4,6-difluorophenyl)-2,2,3,3-tetrafluoropropanamide?
The InChIKey is FDQMUDIZPMBEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClF6NO/c10-4-1-3(11)2-5(12)6(4)17-8(18)9(15,16)7(13)14/h1-2,7H,(H,17,18).
What are the key properties of N-(2-chloro-4,6-difluorophenyl)-2,2,3,3-tetrafluoropropanamide?
N-(2-chloro-4,6-difluorophenyl)-2,2,3,3-tetrafluoropropanamide has a molecular weight of 291.58 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-difluorophenyl)-2,2,3,3-tetrafluoropropanamide is sourced from PubChem (CID 103878394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).