4-[(1S)-1,4-dimethylcyclopent-2-en-1-yl]-2,2-difluoro-N-methylhexan-3-imine

C14H23F2N — CID 144526431

IUPAC4-[(1S)-1,4-dimethylcyclopent-2-en-1-yl]-2,2-difluoro-N-methylhexan-3-imine
SMILESCCC(/C(=N/C)C(C)(F)F)[C@]1(C)C=CC(C)C1
InChIInChI=1S/C14H23F2N/c1-6-11(12(17-5)14(4,15)16)13(3)8-7-10(2)9-13/h7-8,10-11H,6,9H2,1-5H3/b17-12-/t10?,11?,13-/m1/s1
InChIKeyJTVOCLJRXFMBLU-ZRSZOVOKSA-N
MW243.34 g/mol
LogP4.34
Rot. Bonds4

About 4-[(1S)-1,4-dimethylcyclopent-2-en-1-yl]-2,2-difluoro-N-methylhexan-3-imine

4-[(1S)-1,4-dimethylcyclopent-2-en-1-yl]-2,2-difluoro-N-methylhexan-3-imine (PubChem CID 144526431) has the molecular formula C14H23F2N and a molecular weight of 243.34 g/mol. Its IUPAC name is 4-[(1S)-1,4-dimethylcyclopent-2-en-1-yl]-2,2-difluoro-N-methylhexan-3-imine.

Molecular Properties

Compound Name4-[(1S)-1,4-dimethylcyclopent-2-en-1-yl]-2,2-difluoro-N-methylhexan-3-imine
PubChem CID144526431
Molecular FormulaC14H23F2N
Molecular Weight243.34 g/mol
Exact Mass243.18
IUPAC Name4-[(1S)-1,4-dimethylcyclopent-2-en-1-yl]-2,2-difluoro-N-methylhexan-3-imine
SMILESCCC(/C(=N/C)C(C)(F)F)[C@]1(C)C=CC(C)C1
InChIInChI=1S/C14H23F2N/c1-6-11(12(17-5)14(4,15)16)13(3)8-7-10(2)9-13/h7-8,10-11H,6,9H2,1-5H3/b17-12-/t10?,11?,13-/m1/s1
InChIKeyJTVOCLJRXFMBLU-ZRSZOVOKSA-N
XLogP4.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.34
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[3,3-dimethyl-2-(trifluoromethyl)butyl]-3H-pyrrole
CID 59159512
5,6-Dimethyl-5-propyl-7-(trifluoromethyl)-2,6-dihydroazepine
CID 70309949
4-[(1S)-1,4-dimethylcyclopent-2-en-1-yl]-2,2-difluoro-N-methylhexan-3-imine;ethane;[(2S)-2-ethylcyclohexyl]-dimethylphosphane
CID 144526429
(Z)-N-ethyl-7-methyl-6-(trifluoromethyl)oct-2-en-4-imine
CID 166470434
(8E,10Z)-6-ethyl-9-fluoro-N,7-dimethyldodeca-8,10-dien-5-imine
CID 143491167
(Z)-6-ethyl-7-(fluoromethyl)-N-methylundec-8-en-5-imine
CID 143491208
6-(3,4-Dimethyl-3-propan-2-ylpent-4-enyl)-5-(trifluoromethyl)-2,3-dihydropyridine
CID 153339001
(Z)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]but-2-en-1-imine
CID 162588361
1-(4-but-2-enyl-5-ethyl-4-methylcycloheptyl)-N-methylethanimine
CID 91040051
4-(3-ethyl-2-methylpentan-2-yl)-N-methylcyclohex-2-en-1-imine
CID 123457246

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1,4-dimethylcyclopent-2-en-1-yl]-2,2-difluoro-N-methylhexan-3-imine?
The IUPAC name of 4-[(1S)-1,4-dimethylcyclopent-2-en-1-yl]-2,2-difluoro-N-methylhexan-3-imine (CID 144526431) is 4-[(1S)-1,4-dimethylcyclopent-2-en-1-yl]-2,2-difluoro-N-methylhexan-3-imine.
What is the SMILES notation for 4-[(1S)-1,4-dimethylcyclopent-2-en-1-yl]-2,2-difluoro-N-methylhexan-3-imine?
The canonical SMILES for 4-[(1S)-1,4-dimethylcyclopent-2-en-1-yl]-2,2-difluoro-N-methylhexan-3-imine is CCC(/C(=N/C)C(C)(F)F)[C@]1(C)C=CC(C)C1.
What is the InChIKey of 4-[(1S)-1,4-dimethylcyclopent-2-en-1-yl]-2,2-difluoro-N-methylhexan-3-imine?
The InChIKey is JTVOCLJRXFMBLU-ZRSZOVOKSA-N. The full InChI is InChI=1S/C14H23F2N/c1-6-11(12(17-5)14(4,15)16)13(3)8-7-10(2)9-13/h7-8,10-11H,6,9H2,1-5H3/b17-12-/t10?,11?,13-/m1/s1.
What are the key properties of 4-[(1S)-1,4-dimethylcyclopent-2-en-1-yl]-2,2-difluoro-N-methylhexan-3-imine?
4-[(1S)-1,4-dimethylcyclopent-2-en-1-yl]-2,2-difluoro-N-methylhexan-3-imine has a molecular weight of 243.34 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1,4-dimethylcyclopent-2-en-1-yl]-2,2-difluoro-N-methylhexan-3-imine is sourced from PubChem (CID 144526431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).