N'-[3-chloro-4-(difluoromethoxy)phenyl]-N,N-dimethylmethanimidamide

C10H11ClF2N2O — CID 4830696

IUPACN'-[3-chloro-4-(difluoromethoxy)phenyl]-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C10H11ClF2N2O/c1-15(2)6-14-7-3-4-9(8(11)5-7)16-10(12)13/h3-6,10H,1-2H3/b14-6+
InChIKeyDSRJJCPWHOCRME-MKMNVTDBSA-N
MW248.66 g/mol
LogP3.16
Rot. Bonds4

About N'-[3-chloro-4-(difluoromethoxy)phenyl]-N,N-dimethylmethanimidamide

N'-[3-chloro-4-(difluoromethoxy)phenyl]-N,N-dimethylmethanimidamide (PubChem CID 4830696) has the molecular formula C10H11ClF2N2O and a molecular weight of 248.66 g/mol. Its IUPAC name is N'-[3-chloro-4-(difluoromethoxy)phenyl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[3-chloro-4-(difluoromethoxy)phenyl]-N,N-dimethylmethanimidamide
PubChem CID4830696
Molecular FormulaC10H11ClF2N2O
Molecular Weight248.66 g/mol
Exact Mass248.05
IUPAC NameN'-[3-chloro-4-(difluoromethoxy)phenyl]-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C10H11ClF2N2O/c1-15(2)6-14-7-3-4-9(8(11)5-7)16-10(12)13/h3-6,10H,1-2H3/b14-6+
InChIKeyDSRJJCPWHOCRME-MKMNVTDBSA-N
XLogP3.16
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.66
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[3-chloro-4-(difluoromethoxy)phenyl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[3-chloro-4-(difluoromethoxy)phenyl]-N,N-dimethylmethanimidamide (CID 4830696) is N'-[3-chloro-4-(difluoromethoxy)phenyl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[3-chloro-4-(difluoromethoxy)phenyl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[3-chloro-4-(difluoromethoxy)phenyl]-N,N-dimethylmethanimidamide is CN(C)/C=N/c1ccc(OC(F)F)c(Cl)c1.
What is the InChIKey of N'-[3-chloro-4-(difluoromethoxy)phenyl]-N,N-dimethylmethanimidamide?
The InChIKey is DSRJJCPWHOCRME-MKMNVTDBSA-N. The full InChI is InChI=1S/C10H11ClF2N2O/c1-15(2)6-14-7-3-4-9(8(11)5-7)16-10(12)13/h3-6,10H,1-2H3/b14-6+.
What are the key properties of N'-[3-chloro-4-(difluoromethoxy)phenyl]-N,N-dimethylmethanimidamide?
N'-[3-chloro-4-(difluoromethoxy)phenyl]-N,N-dimethylmethanimidamide has a molecular weight of 248.66 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-chloro-4-(difluoromethoxy)phenyl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 4830696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).