1-(cyclohexen-1-yl)-3-(2,2-difluoroethoxy)-N-methylpropan-1-amine

C12H21F2NO — CID 103207502

IUPAC1-(cyclohexen-1-yl)-3-(2,2-difluoroethoxy)-N-methylpropan-1-amine
SMILESCNC(CCOCC(F)F)C1=CCCCC1
InChIInChI=1S/C12H21F2NO/c1-15-11(7-8-16-9-12(13)14)10-5-3-2-4-6-10/h5,11-12,15H,2-4,6-9H2,1H3
InChIKeyVLFANEGZMLYXLX-UHFFFAOYSA-N
MW233.30 g/mol
LogP2.75
Rot. Bonds7

About 1-(cyclohexen-1-yl)-3-(2,2-difluoroethoxy)-N-methylpropan-1-amine

1-(cyclohexen-1-yl)-3-(2,2-difluoroethoxy)-N-methylpropan-1-amine (PubChem CID 103207502) has the molecular formula C12H21F2NO and a molecular weight of 233.30 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-3-(2,2-difluoroethoxy)-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-3-(2,2-difluoroethoxy)-N-methylpropan-1-amine
PubChem CID103207502
Molecular FormulaC12H21F2NO
Molecular Weight233.30 g/mol
Exact Mass233.16
IUPAC Name1-(cyclohexen-1-yl)-3-(2,2-difluoroethoxy)-N-methylpropan-1-amine
SMILESCNC(CCOCC(F)F)C1=CCCCC1
InChIInChI=1S/C12H21F2NO/c1-15-11(7-8-16-9-12(13)14)10-5-3-2-4-6-10/h5,11-12,15H,2-4,6-9H2,1H3
InChIKeyVLFANEGZMLYXLX-UHFFFAOYSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 55061872
3-[3-(2,2,2-Trifluoroethoxy)propyl]cyclohex-2-en-1-amine
CID 65172107
3-[3-(2,2,2-Trifluoroethoxy)propyl]cyclopent-2-en-1-amine
CID 65174408
N-methyl-1-(2,2,2-trifluoroethoxy)oct-7-en-3-amine
CID 103148278
N-methyl-5-methylidene-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 103148341
N,6-dimethyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine
CID 103148375
N-ethyl-6-methyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine
CID 103148593
5-methylidene-N-propyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 103148725
6-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine
CID 103148753
1-(2,2-difluoroethoxy)-N-methyloct-7-en-3-amine
CID 103149205
1-(2,2-difluoroethoxy)-N-methyl-5-methylideneheptan-3-amine
CID 103149287
1-(2,2-difluoroethoxy)-N,6-dimethylhept-6-en-3-amine
CID 103149334

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-3-(2,2-difluoroethoxy)-N-methylpropan-1-amine?
The IUPAC name of 1-(cyclohexen-1-yl)-3-(2,2-difluoroethoxy)-N-methylpropan-1-amine (CID 103207502) is 1-(cyclohexen-1-yl)-3-(2,2-difluoroethoxy)-N-methylpropan-1-amine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-3-(2,2-difluoroethoxy)-N-methylpropan-1-amine?
The canonical SMILES for 1-(cyclohexen-1-yl)-3-(2,2-difluoroethoxy)-N-methylpropan-1-amine is CNC(CCOCC(F)F)C1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-3-(2,2-difluoroethoxy)-N-methylpropan-1-amine?
The InChIKey is VLFANEGZMLYXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2NO/c1-15-11(7-8-16-9-12(13)14)10-5-3-2-4-6-10/h5,11-12,15H,2-4,6-9H2,1H3.
What are the key properties of 1-(cyclohexen-1-yl)-3-(2,2-difluoroethoxy)-N-methylpropan-1-amine?
1-(cyclohexen-1-yl)-3-(2,2-difluoroethoxy)-N-methylpropan-1-amine has a molecular weight of 233.30 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-3-(2,2-difluoroethoxy)-N-methylpropan-1-amine is sourced from PubChem (CID 103207502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).