N-[[(E)-2-chloro-1,2-difluoroethenyl]-(dimethylamino)phosphoryl]-N-methylmethanamine

C6H12ClF2N2OP — CID 134922088

IUPACN-[[(E)-2-chloro-1,2-difluoroethenyl]-(dimethylamino)phosphoryl]-N-methylmethanamine
SMILESCN(C)P(=O)(/C(F)=C(\F)Cl)N(C)C
InChIInChI=1S/C6H12ClF2N2OP/c1-10(2)13(12,11(3)4)6(9)5(7)8/h1-4H3/b6-5-
InChIKeyHOINMQZJDUUERG-WAYWQWQTSA-N
MW232.60 g/mol
LogP2.61
Rot. Bonds3

About N-[[(E)-2-chloro-1,2-difluoroethenyl]-(dimethylamino)phosphoryl]-N-methylmethanamine

N-[[(E)-2-chloro-1,2-difluoroethenyl]-(dimethylamino)phosphoryl]-N-methylmethanamine (PubChem CID 134922088) has the molecular formula C6H12ClF2N2OP and a molecular weight of 232.60 g/mol. Its IUPAC name is N-[[(E)-2-chloro-1,2-difluoroethenyl]-(dimethylamino)phosphoryl]-N-methylmethanamine.

Molecular Properties

Compound NameN-[[(E)-2-chloro-1,2-difluoroethenyl]-(dimethylamino)phosphoryl]-N-methylmethanamine
PubChem CID134922088
Molecular FormulaC6H12ClF2N2OP
Molecular Weight232.60 g/mol
Exact Mass232.03
IUPAC NameN-[[(E)-2-chloro-1,2-difluoroethenyl]-(dimethylamino)phosphoryl]-N-methylmethanamine
SMILESCN(C)P(=O)(/C(F)=C(\F)Cl)N(C)C
InChIInChI=1S/C6H12ClF2N2OP/c1-10(2)13(12,11(3)4)6(9)5(7)8/h1-4H3/b6-5-
InChIKeyHOINMQZJDUUERG-WAYWQWQTSA-N
XLogP2.61
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.60
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[(E)-2-chloro-1,2-difluoroethenyl]-(dimethylamino)phosphoryl]-N-methylmethanamine?
The IUPAC name of N-[[(E)-2-chloro-1,2-difluoroethenyl]-(dimethylamino)phosphoryl]-N-methylmethanamine (CID 134922088) is N-[[(E)-2-chloro-1,2-difluoroethenyl]-(dimethylamino)phosphoryl]-N-methylmethanamine.
What is the SMILES notation for N-[[(E)-2-chloro-1,2-difluoroethenyl]-(dimethylamino)phosphoryl]-N-methylmethanamine?
The canonical SMILES for N-[[(E)-2-chloro-1,2-difluoroethenyl]-(dimethylamino)phosphoryl]-N-methylmethanamine is CN(C)P(=O)(/C(F)=C(\F)Cl)N(C)C.
What is the InChIKey of N-[[(E)-2-chloro-1,2-difluoroethenyl]-(dimethylamino)phosphoryl]-N-methylmethanamine?
The InChIKey is HOINMQZJDUUERG-WAYWQWQTSA-N. The full InChI is InChI=1S/C6H12ClF2N2OP/c1-10(2)13(12,11(3)4)6(9)5(7)8/h1-4H3/b6-5-.
What are the key properties of N-[[(E)-2-chloro-1,2-difluoroethenyl]-(dimethylamino)phosphoryl]-N-methylmethanamine?
N-[[(E)-2-chloro-1,2-difluoroethenyl]-(dimethylamino)phosphoryl]-N-methylmethanamine has a molecular weight of 232.60 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(E)-2-chloro-1,2-difluoroethenyl]-(dimethylamino)phosphoryl]-N-methylmethanamine is sourced from PubChem (CID 134922088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).