N-chloro-1-(2,6-difluorophenyl)methanamine

C7H6ClF2N — CID 126658076

IUPACN-chloro-1-(2,6-difluorophenyl)methanamine
SMILESFc1cccc(F)c1CNCl
InChIInChI=1S/C7H6ClF2N/c8-11-4-5-6(9)2-1-3-7(5)10/h1-3,11H,4H2
InChIKeyFLUUIKUCFXLREM-UHFFFAOYSA-N
MW177.58 g/mol
LogP2.21
Rot. Bonds2

About N-chloro-1-(2,6-difluorophenyl)methanamine

N-chloro-1-(2,6-difluorophenyl)methanamine (PubChem CID 126658076) has the molecular formula C7H6ClF2N and a molecular weight of 177.58 g/mol. Its IUPAC name is N-chloro-1-(2,6-difluorophenyl)methanamine.

Molecular Properties

Compound NameN-chloro-1-(2,6-difluorophenyl)methanamine
PubChem CID126658076
Molecular FormulaC7H6ClF2N
Molecular Weight177.58 g/mol
Exact Mass177.02
IUPAC NameN-chloro-1-(2,6-difluorophenyl)methanamine
SMILESFc1cccc(F)c1CNCl
InChIInChI=1S/C7H6ClF2N/c8-11-4-5-6(9)2-1-3-7(5)10/h1-3,11H,4H2
InChIKeyFLUUIKUCFXLREM-UHFFFAOYSA-N
XLogP2.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.58
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,6-difluorophenyl)methyl]-1,3-difluorobenzene
CID 15013079
1-[(2,6-difluorophenyl)methylamino]-2-methylpropan-2-ol
CID 63933107
2,4,6-trichloro-N-[(2,6-difluorophenyl)methyl]aniline
CID 28992578
4-chloro-N-[(2,6-difluorophenyl)methyl]-2-methylbutan-2-amine
CID 114934231
2,5-dichloro-N-[(2,6-difluorophenyl)methyl]aniline
CID 30051961
4-chloro-N-[(2,6-difluorophenyl)methyl]butan-2-amine
CID 114934206
N-[(2,6-difluorophenyl)methyl]butan-2-amine
CID 43177297
(2,6-difluorophenyl)methylthiourea;hydrobromide
CID 173140070
3-chloro-N-[(2,6-difluorophenyl)methyl]pyrazin-2-amine
CID 121204707
3-chloro-N-[(2,6-difluorophenyl)methyl]-2-methylaniline
CID 29039317
3-chloro-N-[(2,6-difluorophenyl)methyl]-5-fluoroaniline
CID 107363892
(2,6-difluorophenyl)methyl hypochlorite
CID 70312638

Frequently Asked Questions

What is the IUPAC name of N-chloro-1-(2,6-difluorophenyl)methanamine?
The IUPAC name of N-chloro-1-(2,6-difluorophenyl)methanamine (CID 126658076) is N-chloro-1-(2,6-difluorophenyl)methanamine.
What is the SMILES notation for N-chloro-1-(2,6-difluorophenyl)methanamine?
The canonical SMILES for N-chloro-1-(2,6-difluorophenyl)methanamine is Fc1cccc(F)c1CNCl.
What is the InChIKey of N-chloro-1-(2,6-difluorophenyl)methanamine?
The InChIKey is FLUUIKUCFXLREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF2N/c8-11-4-5-6(9)2-1-3-7(5)10/h1-3,11H,4H2.
What are the key properties of N-chloro-1-(2,6-difluorophenyl)methanamine?
N-chloro-1-(2,6-difluorophenyl)methanamine has a molecular weight of 177.58 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-1-(2,6-difluorophenyl)methanamine is sourced from PubChem (CID 126658076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).