2,2-difluoro-N-[(2-fluorophenyl)methyl]ethanamine

C9H10F3N — CID 60922653

IUPAC2,2-difluoro-N-[(2-fluorophenyl)methyl]ethanamine
SMILESFc1ccccc1CNCC(F)F
InChIInChI=1S/C9H10F3N/c10-8-4-2-1-3-7(8)5-13-6-9(11)12/h1-4,9,13H,5-6H2
InChIKeyBIXLOKJDGJVMJC-UHFFFAOYSA-N
MW189.18 g/mol
LogP2.18
Rot. Bonds4

About 2,2-difluoro-N-[(2-fluorophenyl)methyl]ethanamine

2,2-difluoro-N-[(2-fluorophenyl)methyl]ethanamine (PubChem CID 60922653) has the molecular formula C9H10F3N and a molecular weight of 189.18 g/mol. Its IUPAC name is 2,2-difluoro-N-[(2-fluorophenyl)methyl]ethanamine.

Molecular Properties

Compound Name2,2-difluoro-N-[(2-fluorophenyl)methyl]ethanamine
PubChem CID60922653
Molecular FormulaC9H10F3N
Molecular Weight189.18 g/mol
Exact Mass189.08
IUPAC Name2,2-difluoro-N-[(2-fluorophenyl)methyl]ethanamine
SMILESFc1ccccc1CNCC(F)F
InChIInChI=1S/C9H10F3N/c10-8-4-2-1-3-7(8)5-13-6-9(11)12/h1-4,9,13H,5-6H2
InChIKeyBIXLOKJDGJVMJC-UHFFFAOYSA-N
XLogP2.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.18
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(2-fluorophenyl)methylamino]methanethiol
CID 115227992
3-[(2-fluorophenyl)methylamino]propane-1,2-diol
CID 56986233
1-[(2-fluorophenyl)methylamino]-3-methylbutan-2-ol
CID 111421975
1-N-[(2-fluorophenyl)methyl]-2-N,2-N-dimethylpropane-1,2-diamine
CID 61042939
N-[(2-fluorophenyl)methyl]-2-methylsulfanylpropan-1-amine
CID 115757743
1-[(2-fluorophenyl)methylamino]-4-methylpentan-2-ol
CID 103631775
2-(2-fluorophenyl)-N-[(2-fluorophenyl)methyl]ethanamine;hydrochloride
CID 17294165
2-(2-chloroethyl)-N-[(2-fluorophenyl)methyl]pentan-1-amine
CID 106117128
methyl 2-chloro-3-[(2-fluorophenyl)methylamino]propanoate
CID 103491904
1-(diethylamino)-3-[(2-fluorophenyl)methylamino]propan-2-ol
CID 60710845
1-[(2-fluorophenyl)methylamino]hex-5-en-2-ol
CID 122660658
methyl 2-[2-[(2,2-difluoroethylamino)methyl]phenyl]acetate
CID 115462288

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[(2-fluorophenyl)methyl]ethanamine?
The IUPAC name of 2,2-difluoro-N-[(2-fluorophenyl)methyl]ethanamine (CID 60922653) is 2,2-difluoro-N-[(2-fluorophenyl)methyl]ethanamine.
What is the SMILES notation for 2,2-difluoro-N-[(2-fluorophenyl)methyl]ethanamine?
The canonical SMILES for 2,2-difluoro-N-[(2-fluorophenyl)methyl]ethanamine is Fc1ccccc1CNCC(F)F.
What is the InChIKey of 2,2-difluoro-N-[(2-fluorophenyl)methyl]ethanamine?
The InChIKey is BIXLOKJDGJVMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N/c10-8-4-2-1-3-7(8)5-13-6-9(11)12/h1-4,9,13H,5-6H2.
What are the key properties of 2,2-difluoro-N-[(2-fluorophenyl)methyl]ethanamine?
2,2-difluoro-N-[(2-fluorophenyl)methyl]ethanamine has a molecular weight of 189.18 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[(2-fluorophenyl)methyl]ethanamine is sourced from PubChem (CID 60922653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).