2,2-difluoro-N-(2-methylphenyl)ethanimidoyl chloride

C9H8ClF2N — CID 53431956

IUPAC2,2-difluoro-N-(2-methylphenyl)ethanimidoyl chloride
SMILESCc1ccccc1/N=C(\Cl)C(F)F
InChIInChI=1S/C9H8ClF2N/c1-6-4-2-3-5-7(6)13-8(10)9(11)12/h2-5,9H,1H3/b13-8-
InChIKeySTZAPOPRINRIPC-JYRVWZFOSA-N
MW203.62 g/mol
LogP3.53
Rot. Bonds2

About 2,2-difluoro-N-(2-methylphenyl)ethanimidoyl chloride

2,2-difluoro-N-(2-methylphenyl)ethanimidoyl chloride (PubChem CID 53431956) has the molecular formula C9H8ClF2N and a molecular weight of 203.62 g/mol. Its IUPAC name is 2,2-difluoro-N-(2-methylphenyl)ethanimidoyl chloride.

Molecular Properties

Compound Name2,2-difluoro-N-(2-methylphenyl)ethanimidoyl chloride
PubChem CID53431956
Molecular FormulaC9H8ClF2N
Molecular Weight203.62 g/mol
Exact Mass203.03
IUPAC Name2,2-difluoro-N-(2-methylphenyl)ethanimidoyl chloride
SMILESCc1ccccc1/N=C(\Cl)C(F)F
InChIInChI=1S/C9H8ClF2N/c1-6-4-2-3-5-7(6)13-8(10)9(11)12/h2-5,9H,1H3/b13-8-
InChIKeySTZAPOPRINRIPC-JYRVWZFOSA-N
XLogP3.53
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.62
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(Trifluoromethyl)phenyl isocyanate
CID 16794
2-Ethylphenyl isothiocyanate
CID 2796213
2-Methylphenyl isothiocyanate
CID 69195
1-Isocyano-2-methylbenzene
CID 575991
2-(Trifluoromethyl)phenyl isothiocyanate
CID 737162
2,2,2-Trifluoro-N-phenylacetimidoyl Chloride
CID 10058869
Alpha,alpha,alpha-trifluoro-O-toluidine hydrochloride
CID 22736790
2-(2,2,2-Trifluoroethyl)aniline
CID 21327126
5-Fluoro-o-tolyl Isothiocyanate
CID 519443
5-Fluoro-o-tolyl isocyanate
CID 2734879
3-Fluoro-2-methylphenyl isocyanate
CID 12414170
1-(Diaminomethylidene)-2-[2-(trifluoromethyl)phenyl]guanidine
CID 1892403

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(2-methylphenyl)ethanimidoyl chloride?
The IUPAC name of 2,2-difluoro-N-(2-methylphenyl)ethanimidoyl chloride (CID 53431956) is 2,2-difluoro-N-(2-methylphenyl)ethanimidoyl chloride.
What is the SMILES notation for 2,2-difluoro-N-(2-methylphenyl)ethanimidoyl chloride?
The canonical SMILES for 2,2-difluoro-N-(2-methylphenyl)ethanimidoyl chloride is Cc1ccccc1/N=C(\Cl)C(F)F.
What is the InChIKey of 2,2-difluoro-N-(2-methylphenyl)ethanimidoyl chloride?
The InChIKey is STZAPOPRINRIPC-JYRVWZFOSA-N. The full InChI is InChI=1S/C9H8ClF2N/c1-6-4-2-3-5-7(6)13-8(10)9(11)12/h2-5,9H,1H3/b13-8-.
What are the key properties of 2,2-difluoro-N-(2-methylphenyl)ethanimidoyl chloride?
2,2-difluoro-N-(2-methylphenyl)ethanimidoyl chloride has a molecular weight of 203.62 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(2-methylphenyl)ethanimidoyl chloride is sourced from PubChem (CID 53431956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).