N-(2-chloroethyl)-N-[(2,5-dichlorophenyl)methyl]-2,2-difluoroethanamine

C11H12Cl3F2N — CID 107488031

IUPACN-(2-chloroethyl)-N-[(2,5-dichlorophenyl)methyl]-2,2-difluoroethanamine
SMILESFC(F)CN(CCCl)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H12Cl3F2N/c12-3-4-17(7-11(15)16)6-8-5-9(13)1-2-10(8)14/h1-2,5,11H,3-4,6-7H2
InChIKeyYYAQEFNFJFGTCH-UHFFFAOYSA-N
MW302.58 g/mol
LogP4.30
Rot. Bonds6

About N-(2-chloroethyl)-N-[(2,5-dichlorophenyl)methyl]-2,2-difluoroethanamine

N-(2-chloroethyl)-N-[(2,5-dichlorophenyl)methyl]-2,2-difluoroethanamine (PubChem CID 107488031) has the molecular formula C11H12Cl3F2N and a molecular weight of 302.58 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-[(2,5-dichlorophenyl)methyl]-2,2-difluoroethanamine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-[(2,5-dichlorophenyl)methyl]-2,2-difluoroethanamine
PubChem CID107488031
Molecular FormulaC11H12Cl3F2N
Molecular Weight302.58 g/mol
Exact Mass301.00
IUPAC NameN-(2-chloroethyl)-N-[(2,5-dichlorophenyl)methyl]-2,2-difluoroethanamine
SMILESFC(F)CN(CCCl)Cc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H12Cl3F2N/c12-3-4-17(7-11(15)16)6-8-5-9(13)1-2-10(8)14/h1-2,5,11H,3-4,6-7H2
InChIKeyYYAQEFNFJFGTCH-UHFFFAOYSA-N
XLogP4.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.58
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloroethyl)-N-[(2,5-dichlorophenyl)methyl]-2,2,2-trifluoroethanamine
CID 107489074
N-(2-chloroethyl)-N-[(2-chloro-3-fluorophenyl)methyl]-2,2-difluoroethanamine
CID 107487930
N-(2-chloroethyl)-N-[(2,3-difluorophenyl)methyl]-2,2-difluoroethanamine
CID 107488082
N-(2-chloroethyl)-2,2-difluoro-N-[(4-fluorophenyl)methyl]ethanamine
CID 107487799
N-(2-chloroethyl)-N-[(2,6-dimethylphenyl)methyl]-2,2-difluoroethanamine
CID 107487813
N-[(4-bromothiophen-2-yl)methyl]-N-(2-chloroethyl)-2,2-difluoroethanamine
CID 107487867
N-(2-bromoethyl)-N-[(2,5-dichlorophenyl)methyl]-2,2,2-trifluoroethanamine
CID 107488497
2-[(2-chloro-4-methylphenyl)methyl-(2,2-difluoroethyl)amino]ethanol
CID 107485069
N-benzyl-2-chloro-N-[(2,4-dichlorophenyl)methyl]ethanamine
CID 63389500
N-(2-chloroethyl)-N-[(2,5-dichlorophenyl)methyl]cyclohexanamine
CID 65318354
1-(2,5-dichlorophenyl)-N,N-dimethylmethanamine
CID 130557512
1,4-dichloro-2-(fluoromethyl)benzene
CID 175609206

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-[(2,5-dichlorophenyl)methyl]-2,2-difluoroethanamine?
The IUPAC name of N-(2-chloroethyl)-N-[(2,5-dichlorophenyl)methyl]-2,2-difluoroethanamine (CID 107488031) is N-(2-chloroethyl)-N-[(2,5-dichlorophenyl)methyl]-2,2-difluoroethanamine.
What is the SMILES notation for N-(2-chloroethyl)-N-[(2,5-dichlorophenyl)methyl]-2,2-difluoroethanamine?
The canonical SMILES for N-(2-chloroethyl)-N-[(2,5-dichlorophenyl)methyl]-2,2-difluoroethanamine is FC(F)CN(CCCl)Cc1cc(Cl)ccc1Cl.
What is the InChIKey of N-(2-chloroethyl)-N-[(2,5-dichlorophenyl)methyl]-2,2-difluoroethanamine?
The InChIKey is YYAQEFNFJFGTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl3F2N/c12-3-4-17(7-11(15)16)6-8-5-9(13)1-2-10(8)14/h1-2,5,11H,3-4,6-7H2.
What are the key properties of N-(2-chloroethyl)-N-[(2,5-dichlorophenyl)methyl]-2,2-difluoroethanamine?
N-(2-chloroethyl)-N-[(2,5-dichlorophenyl)methyl]-2,2-difluoroethanamine has a molecular weight of 302.58 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-[(2,5-dichlorophenyl)methyl]-2,2-difluoroethanamine is sourced from PubChem (CID 107488031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).