N-(2-chloroethyl)-N-[(2,3-difluorophenyl)methyl]-2,2-difluoroethanamine

C11H12ClF4N — CID 107488082

IUPACN-(2-chloroethyl)-N-[(2,3-difluorophenyl)methyl]-2,2-difluoroethanamine
SMILESFc1cccc(CN(CCCl)CC(F)F)c1F
InChIInChI=1S/C11H12ClF4N/c12-4-5-17(7-10(14)15)6-8-2-1-3-9(13)11(8)16/h1-3,10H,4-7H2
InChIKeyBEWAHQHMDZMFKZ-UHFFFAOYSA-N
MW269.67 g/mol
LogP3.27
Rot. Bonds6

About N-(2-chloroethyl)-N-[(2,3-difluorophenyl)methyl]-2,2-difluoroethanamine

N-(2-chloroethyl)-N-[(2,3-difluorophenyl)methyl]-2,2-difluoroethanamine (PubChem CID 107488082) has the molecular formula C11H12ClF4N and a molecular weight of 269.67 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-[(2,3-difluorophenyl)methyl]-2,2-difluoroethanamine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-[(2,3-difluorophenyl)methyl]-2,2-difluoroethanamine
PubChem CID107488082
Molecular FormulaC11H12ClF4N
Molecular Weight269.67 g/mol
Exact Mass269.06
IUPAC NameN-(2-chloroethyl)-N-[(2,3-difluorophenyl)methyl]-2,2-difluoroethanamine
SMILESFc1cccc(CN(CCCl)CC(F)F)c1F
InChIInChI=1S/C11H12ClF4N/c12-4-5-17(7-10(14)15)6-8-2-1-3-9(13)11(8)16/h1-3,10H,4-7H2
InChIKeyBEWAHQHMDZMFKZ-UHFFFAOYSA-N
XLogP3.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.67
LogP ≤ 53.27
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-chloro-3-fluorophenyl)methyl]-2,2-difluoroethanamine
CID 107487930
N-(2-chloroethyl)-N-[(2,5-dichlorophenyl)methyl]-2,2-difluoroethanamine
CID 107488031
N-(2-chloroethyl)-N-[(2,6-dimethylphenyl)methyl]-2,2-difluoroethanamine
CID 107487813
N-(2-chloroethyl)-2,2-difluoro-N-[(4-fluorophenyl)methyl]ethanamine
CID 107487799
N-(2-bromoethyl)-N-[(2-bromophenyl)methyl]-2,2-difluoroethanamine
CID 107487664
3-[(2,3-difluorophenyl)methyl-(2-phenylpropyl)amino]propanoic acid
CID 167881605
N-(2-chloroethyl)-2,2-difluoro-N-(thiophen-3-ylmethyl)ethanamine
CID 107487991
2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]benzoic acid
CID 107480825
3-[[bis(3-methylbutyl)amino]methyl]-2-fluoroaniline
CID 107869377
N-[(4-bromothiophen-2-yl)methyl]-N-(2-chloroethyl)-2,2-difluoroethanamine
CID 107487867
1-(3-bromopropyl)-2,3-difluorobenzene
CID 53433974
1-(3-chloro-2-phenylpropyl)-2,3-difluorobenzene
CID 66033899

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-[(2,3-difluorophenyl)methyl]-2,2-difluoroethanamine?
The IUPAC name of N-(2-chloroethyl)-N-[(2,3-difluorophenyl)methyl]-2,2-difluoroethanamine (CID 107488082) is N-(2-chloroethyl)-N-[(2,3-difluorophenyl)methyl]-2,2-difluoroethanamine.
What is the SMILES notation for N-(2-chloroethyl)-N-[(2,3-difluorophenyl)methyl]-2,2-difluoroethanamine?
The canonical SMILES for N-(2-chloroethyl)-N-[(2,3-difluorophenyl)methyl]-2,2-difluoroethanamine is Fc1cccc(CN(CCCl)CC(F)F)c1F.
What is the InChIKey of N-(2-chloroethyl)-N-[(2,3-difluorophenyl)methyl]-2,2-difluoroethanamine?
The InChIKey is BEWAHQHMDZMFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF4N/c12-4-5-17(7-10(14)15)6-8-2-1-3-9(13)11(8)16/h1-3,10H,4-7H2.
What are the key properties of N-(2-chloroethyl)-N-[(2,3-difluorophenyl)methyl]-2,2-difluoroethanamine?
N-(2-chloroethyl)-N-[(2,3-difluorophenyl)methyl]-2,2-difluoroethanamine has a molecular weight of 269.67 g/mol, XLogP of 3.27, 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-[(2,3-difluorophenyl)methyl]-2,2-difluoroethanamine is sourced from PubChem (CID 107488082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).