N,N-dichloro-1-(3,4-difluorophenyl)methanamine

C7H5Cl2F2N — CID 102529861

IUPACN,N-dichloro-1-(3,4-difluorophenyl)methanamine
SMILESFc1ccc(CN(Cl)Cl)cc1F
InChIInChI=1S/C7H5Cl2F2N/c8-12(9)4-5-1-2-6(10)7(11)3-5/h1-3H,4H2
InChIKeyYNVOCKGWUFRMCU-UHFFFAOYSA-N
MW212.03 g/mol
LogP3.07
Rot. Bonds2

About N,N-dichloro-1-(3,4-difluorophenyl)methanamine

N,N-dichloro-1-(3,4-difluorophenyl)methanamine (PubChem CID 102529861) has the molecular formula C7H5Cl2F2N and a molecular weight of 212.03 g/mol. Its IUPAC name is N,N-dichloro-1-(3,4-difluorophenyl)methanamine.

Molecular Properties

Compound NameN,N-dichloro-1-(3,4-difluorophenyl)methanamine
PubChem CID102529861
Molecular FormulaC7H5Cl2F2N
Molecular Weight212.03 g/mol
Exact Mass210.98
IUPAC NameN,N-dichloro-1-(3,4-difluorophenyl)methanamine
SMILESFc1ccc(CN(Cl)Cl)cc1F
InChIInChI=1S/C7H5Cl2F2N/c8-12(9)4-5-1-2-6(10)7(11)3-5/h1-3H,4H2
InChIKeyYNVOCKGWUFRMCU-UHFFFAOYSA-N
XLogP3.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.03
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N'-[(3,4-difluorophenyl)methyl]-N,N'-dimethylmethanediamine
CID 115226993
2-bromo-N-[(3,4-difluorophenyl)methyl]-N-methylethanamine
CID 82925317
2-[(3,4-difluorophenyl)methyl-propan-2-ylamino]acetonitrile
CID 78983119
N-[(3,4-difluorophenyl)methyl]-N-propylpropan-1-amine
CID 78821646
1-chloro-N-[(3,4-difluorophenyl)methyl]-N-methylpropan-2-amine
CID 104555121
2-[carboxymethyl-[(3,4-difluorophenyl)methyl]amino]acetic acid
CID 65065447
2-chloro-N-[(3,4-difluorophenyl)methyl]-N-methylacetamide
CID 60948624
(3,4-difluorophenyl)methylazanium
CID 6951691
1,2-difluoro-4-(iodomethyl)benzene
CID 11161116
(3,4-difluorophenyl)methanol
CID 522833
methyl 2-[(3,4-difluorophenyl)methyl-methylamino]acetate
CID 78912327
4-[[(3,4-difluorophenyl)methyl-methylamino]methyl]oxan-4-ol
CID 115746943

Frequently Asked Questions

What is the IUPAC name of N,N-dichloro-1-(3,4-difluorophenyl)methanamine?
The IUPAC name of N,N-dichloro-1-(3,4-difluorophenyl)methanamine (CID 102529861) is N,N-dichloro-1-(3,4-difluorophenyl)methanamine.
What is the SMILES notation for N,N-dichloro-1-(3,4-difluorophenyl)methanamine?
The canonical SMILES for N,N-dichloro-1-(3,4-difluorophenyl)methanamine is Fc1ccc(CN(Cl)Cl)cc1F.
What is the InChIKey of N,N-dichloro-1-(3,4-difluorophenyl)methanamine?
The InChIKey is YNVOCKGWUFRMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2F2N/c8-12(9)4-5-1-2-6(10)7(11)3-5/h1-3H,4H2.
What are the key properties of N,N-dichloro-1-(3,4-difluorophenyl)methanamine?
N,N-dichloro-1-(3,4-difluorophenyl)methanamine has a molecular weight of 212.03 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dichloro-1-(3,4-difluorophenyl)methanamine is sourced from PubChem (CID 102529861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).