N-[(2-chloro-6-fluorophenyl)methyl]-2,2-difluoroethanamine

C9H9ClF3N — CID 115405686

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-2,2-difluoroethanamine
SMILESFc1cccc(Cl)c1CNCC(F)F
InChIInChI=1S/C9H9ClF3N/c10-7-2-1-3-8(11)6(7)4-14-5-9(12)13/h1-3,9,14H,4-5H2
InChIKeyVHPABKXJORXRCA-UHFFFAOYSA-N
MW223.63 g/mol
LogP2.83
Rot. Bonds4

About N-[(2-chloro-6-fluorophenyl)methyl]-2,2-difluoroethanamine

N-[(2-chloro-6-fluorophenyl)methyl]-2,2-difluoroethanamine (PubChem CID 115405686) has the molecular formula C9H9ClF3N and a molecular weight of 223.63 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-2,2-difluoroethanamine.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-2,2-difluoroethanamine
PubChem CID115405686
Molecular FormulaC9H9ClF3N
Molecular Weight223.63 g/mol
Exact Mass223.04
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-2,2-difluoroethanamine
SMILESFc1cccc(Cl)c1CNCC(F)F
InChIInChI=1S/C9H9ClF3N/c10-7-2-1-3-8(11)6(7)4-14-5-9(12)13/h1-3,9,14H,4-5H2
InChIKeyVHPABKXJORXRCA-UHFFFAOYSA-N
XLogP2.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.63
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-chloro-6-fluorophenyl)methyl]-2-methylpropan-1-amine;ethane
CID 142079135
N-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-3-methylsulfanylpropan-1-amine
CID 63981738
2-chloro-N-[(2-chloro-6-fluorophenyl)methyl]-3-methoxypropan-1-amine
CID 65024044
2,2-difluoro-N-[(2,3,6-trichlorophenyl)methyl]ethanamine
CID 115405634
N-[(2-chloro-6-fluorophenyl)methyl]-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 75854273
1-[2-[(2-chloro-6-fluorophenyl)methylamino]ethylamino]propan-2-ol;dihydrochloride
CID 17294846
N'-[(2-chloro-6-fluorophenyl)methyl]-N-ethylpropane-1,3-diamine
CID 17215446
3-[(2-chloro-6-fluorophenyl)methylamino]propanenitrile
CID 28728531
CID 167462330
CID 167462330
N-[(2-chloro-6-fluorophenyl)methyl]-2-(4-fluorophenyl)ethanamine
CID 4718315
N-[(2-chloro-6-fluorophenyl)methyl]-1-thiophen-2-ylmethanamine
CID 4716146
N-[(2-chloro-6-fluorophenyl)methyl]-1-(furan-3-yl)methanamine
CID 115585176

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-2,2-difluoroethanamine?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-2,2-difluoroethanamine (CID 115405686) is N-[(2-chloro-6-fluorophenyl)methyl]-2,2-difluoroethanamine.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-2,2-difluoroethanamine?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-2,2-difluoroethanamine is Fc1cccc(Cl)c1CNCC(F)F.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-2,2-difluoroethanamine?
The InChIKey is VHPABKXJORXRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3N/c10-7-2-1-3-8(11)6(7)4-14-5-9(12)13/h1-3,9,14H,4-5H2.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-2,2-difluoroethanamine?
N-[(2-chloro-6-fluorophenyl)methyl]-2,2-difluoroethanamine has a molecular weight of 223.63 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-2,2-difluoroethanamine is sourced from PubChem (CID 115405686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).