N-[(2-chloro-5-nitrophenyl)methyl]-2,2-difluoro-N-methylethanamine

C10H11ClF2N2O2 — CID 115624782

IUPACN-[(2-chloro-5-nitrophenyl)methyl]-2,2-difluoro-N-methylethanamine
SMILESCN(Cc1cc([N+](=O)[O-])ccc1Cl)CC(F)F
InChIInChI=1S/C10H11ClF2N2O2/c1-14(6-10(12)13)5-7-4-8(15(16)17)2-3-9(7)11/h2-4,10H,5-6H2,1H3
InChIKeyWYUMNXJIUMGYPX-UHFFFAOYSA-N
MW264.66 g/mol
LogP2.95
Rot. Bonds5

About N-[(2-chloro-5-nitrophenyl)methyl]-2,2-difluoro-N-methylethanamine

N-[(2-chloro-5-nitrophenyl)methyl]-2,2-difluoro-N-methylethanamine (PubChem CID 115624782) has the molecular formula C10H11ClF2N2O2 and a molecular weight of 264.66 g/mol. Its IUPAC name is N-[(2-chloro-5-nitrophenyl)methyl]-2,2-difluoro-N-methylethanamine.

Molecular Properties

Compound NameN-[(2-chloro-5-nitrophenyl)methyl]-2,2-difluoro-N-methylethanamine
PubChem CID115624782
Molecular FormulaC10H11ClF2N2O2
Molecular Weight264.66 g/mol
Exact Mass264.05
IUPAC NameN-[(2-chloro-5-nitrophenyl)methyl]-2,2-difluoro-N-methylethanamine
SMILESCN(Cc1cc([N+](=O)[O-])ccc1Cl)CC(F)F
InChIInChI=1S/C10H11ClF2N2O2/c1-14(6-10(12)13)5-7-4-8(15(16)17)2-3-9(7)11/h2-4,10H,5-6H2,1H3
InChIKeyWYUMNXJIUMGYPX-UHFFFAOYSA-N
XLogP2.95
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.66
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2-chloro-5-nitrophenyl)methyl]-2,2,2-trifluoro-N-methylethanamine
CID 60733726
2-[(2-chloro-5-nitrophenyl)methyl-methylamino]ethanol
CID 60960383
N-[(2-chloro-5-nitrophenyl)methyl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 63479530
2-[(2-chloro-5-nitrophenyl)methyl-methylamino]-N,N-dimethylacetamide
CID 43216548
N-[(2-chloro-5-nitrophenyl)methyl]-N,2-dimethylbutan-2-amine
CID 63983589
2-[[(2-chlorophenyl)methyl-methylamino]methyl]-4-nitroaniline
CID 62209688
2-[(2-chloro-5-nitrophenyl)methyl-methylamino]-N,N-diethylacetamide
CID 60704014
1-[(2-chloro-4-nitrophenyl)methyl-methylamino]-3-methoxypropan-2-ol
CID 62016553
N-[(2-chloro-5-nitrophenyl)methyl]-N,2-diethylbutan-1-amine
CID 63479699
1-(5-bromothiophen-3-yl)-N-[(2-chloro-5-nitrophenyl)methyl]-N-methylmethanamine
CID 47281195
N-[(2-chloro-5-nitrophenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride
CID 119929870
3-[(2-amino-5-nitrophenyl)methyl-methylamino]-2-methylpropanenitrile
CID 62183356

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-5-nitrophenyl)methyl]-2,2-difluoro-N-methylethanamine?
The IUPAC name of N-[(2-chloro-5-nitrophenyl)methyl]-2,2-difluoro-N-methylethanamine (CID 115624782) is N-[(2-chloro-5-nitrophenyl)methyl]-2,2-difluoro-N-methylethanamine.
What is the SMILES notation for N-[(2-chloro-5-nitrophenyl)methyl]-2,2-difluoro-N-methylethanamine?
The canonical SMILES for N-[(2-chloro-5-nitrophenyl)methyl]-2,2-difluoro-N-methylethanamine is CN(Cc1cc([N+](=O)[O-])ccc1Cl)CC(F)F.
What is the InChIKey of N-[(2-chloro-5-nitrophenyl)methyl]-2,2-difluoro-N-methylethanamine?
The InChIKey is WYUMNXJIUMGYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF2N2O2/c1-14(6-10(12)13)5-7-4-8(15(16)17)2-3-9(7)11/h2-4,10H,5-6H2,1H3.
What are the key properties of N-[(2-chloro-5-nitrophenyl)methyl]-2,2-difluoro-N-methylethanamine?
N-[(2-chloro-5-nitrophenyl)methyl]-2,2-difluoro-N-methylethanamine has a molecular weight of 264.66 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-5-nitrophenyl)methyl]-2,2-difluoro-N-methylethanamine is sourced from PubChem (CID 115624782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).