(S)-N-(2,2-Difluoroethylidene)-1-phenylethylamine

C10H11F2N — CID 7009147

IUPAC2,2-difluoro-N-[(1S)-1-phenylethyl]ethanimine
SMILESC[C@@H](C1=CC=CC=C1)N=CC(F)F
InChIInChI=1S/C10H11F2N/c1-8(13-7-10(11)12)9-5-3-2-4-6-9/h2-8,10H,1H3/t8-/m0/s1
InChIKeyMOMZKLAUXURNPG-QMMMGPOBSA-N
MW183.20 g/mol
LogP2.80
Rot. Bonds3

About (S)-N-(2,2-Difluoroethylidene)-1-phenylethylamine

(S)-N-(2,2-Difluoroethylidene)-1-phenylethylamine (PubChem CID 7009147) has the molecular formula C10H11F2N and a molecular weight of 183.20 g/mol. Its IUPAC name is 2,2-difluoro-N-[(1S)-1-phenylethyl]ethanimine.

Molecular Properties

Compound Name(S)-N-(2,2-Difluoroethylidene)-1-phenylethylamine
PubChem CID7009147
Molecular FormulaC10H11F2N
Molecular Weight183.20 g/mol
Exact Mass183.09
IUPAC Name2,2-difluoro-N-[(1S)-1-phenylethyl]ethanimine
SMILESC[C@@H](C1=CC=CC=C1)N=CC(F)F
InChIInChI=1S/C10H11F2N/c1-8(13-7-10(11)12)9-5-3-2-4-6-9/h2-8,10H,1H3/t8-/m0/s1
InChIKeyMOMZKLAUXURNPG-QMMMGPOBSA-N
XLogP2.80
TPSA12.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity162

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.20
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (S)-N-(2,2-Difluoroethylidene)-1-phenylethylamine?
The IUPAC name of (S)-N-(2,2-Difluoroethylidene)-1-phenylethylamine (CID 7009147) is 2,2-difluoro-N-[(1S)-1-phenylethyl]ethanimine.
What is the SMILES notation for (S)-N-(2,2-Difluoroethylidene)-1-phenylethylamine?
The canonical SMILES for (S)-N-(2,2-Difluoroethylidene)-1-phenylethylamine is C[C@@H](C1=CC=CC=C1)N=CC(F)F.
What is the InChIKey of (S)-N-(2,2-Difluoroethylidene)-1-phenylethylamine?
The InChIKey is MOMZKLAUXURNPG-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H11F2N/c1-8(13-7-10(11)12)9-5-3-2-4-6-9/h2-8,10H,1H3/t8-/m0/s1.
What are the key properties of (S)-N-(2,2-Difluoroethylidene)-1-phenylethylamine?
(S)-N-(2,2-Difluoroethylidene)-1-phenylethylamine has a molecular weight of 183.20 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-N-(2,2-Difluoroethylidene)-1-phenylethylamine is sourced from PubChem (CID 7009147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).