2,2-difluoro-1-phenyl-N-propan-2-ylethanimine

C11H13F2N — CID 101419528

IUPAC2,2-difluoro-1-phenyl-N-propan-2-ylethanimine
SMILESCC(C)/N=C(/c1ccccc1)C(F)F
InChIInChI=1S/C11H13F2N/c1-8(2)14-10(11(12)13)9-6-4-3-5-7-9/h3-8,11H,1-2H3/b14-10-
InChIKeyPKTKSBXCXQJLOG-UVTDQMKNSA-N
MW197.23 g/mol
LogP3.15
Rot. Bonds3

About 2,2-difluoro-1-phenyl-N-propan-2-ylethanimine

2,2-difluoro-1-phenyl-N-propan-2-ylethanimine (PubChem CID 101419528) has the molecular formula C11H13F2N and a molecular weight of 197.23 g/mol. Its IUPAC name is 2,2-difluoro-1-phenyl-N-propan-2-ylethanimine.

Molecular Properties

Compound Name2,2-difluoro-1-phenyl-N-propan-2-ylethanimine
PubChem CID101419528
Molecular FormulaC11H13F2N
Molecular Weight197.23 g/mol
Exact Mass197.10
IUPAC Name2,2-difluoro-1-phenyl-N-propan-2-ylethanimine
SMILESCC(C)/N=C(/c1ccccc1)C(F)F
InChIInChI=1S/C11H13F2N/c1-8(2)14-10(11(12)13)9-6-4-3-5-7-9/h3-8,11H,1-2H3/b14-10-
InChIKeyPKTKSBXCXQJLOG-UVTDQMKNSA-N
XLogP3.15
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-Phenyl-2,3,4,5-tetrahydropyridine
CID 11829725
Methanamine, N-(phenylmethylene)-
CID 73954
2-Propanamine, N-(phenylmethylene)-
CID 95962
Ethanamine, N-(phenylmethylene)-
CID 111239
2-Methyl-N-(phenylmethylene)-2-propanamine
CID 111240
2-(3-Fluorophenyl)-3,4,5,6-tetrahydro-pyridine
CID 12009050
6-(M-tolyl)-2,3,4,5-tetrahydropyridine
CID 68845701
N-Benzylidenepropylamine
CID 250250
5-phenyl-3,4-dihydro-2H-pyrrole
CID 261893
Benzhydrylidene methylamine
CID 576539
Ethanone, 1-(3-(trifluoromethyl)phenyl)-, oxime
CID 280810
5-(2,5-difluorophenyl)-3,4-dihydro-2H-pyrrole
CID 58335726

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-phenyl-N-propan-2-ylethanimine?
The IUPAC name of 2,2-difluoro-1-phenyl-N-propan-2-ylethanimine (CID 101419528) is 2,2-difluoro-1-phenyl-N-propan-2-ylethanimine.
What is the SMILES notation for 2,2-difluoro-1-phenyl-N-propan-2-ylethanimine?
The canonical SMILES for 2,2-difluoro-1-phenyl-N-propan-2-ylethanimine is CC(C)/N=C(/c1ccccc1)C(F)F.
What is the InChIKey of 2,2-difluoro-1-phenyl-N-propan-2-ylethanimine?
The InChIKey is PKTKSBXCXQJLOG-UVTDQMKNSA-N. The full InChI is InChI=1S/C11H13F2N/c1-8(2)14-10(11(12)13)9-6-4-3-5-7-9/h3-8,11H,1-2H3/b14-10-.
What are the key properties of 2,2-difluoro-1-phenyl-N-propan-2-ylethanimine?
2,2-difluoro-1-phenyl-N-propan-2-ylethanimine has a molecular weight of 197.23 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-phenyl-N-propan-2-ylethanimine is sourced from PubChem (CID 101419528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).