1-(cyclohepten-1-yl)-3-(2,2-difluoroethoxy)propan-1-amine

C12H21F2NO — CID 103207519

IUPAC1-(cyclohepten-1-yl)-3-(2,2-difluoroethoxy)propan-1-amine
SMILESNC(CCOCC(F)F)C1=CCCCCC1
InChIInChI=1S/C12H21F2NO/c13-12(14)9-16-8-7-11(15)10-5-3-1-2-4-6-10/h5,11-12H,1-4,6-9,15H2
InChIKeyZUEOCTWQFQRMCH-UHFFFAOYSA-N
MW233.30 g/mol
LogP2.88
Rot. Bonds6

About 1-(cyclohepten-1-yl)-3-(2,2-difluoroethoxy)propan-1-amine

1-(cyclohepten-1-yl)-3-(2,2-difluoroethoxy)propan-1-amine (PubChem CID 103207519) has the molecular formula C12H21F2NO and a molecular weight of 233.30 g/mol. Its IUPAC name is 1-(cyclohepten-1-yl)-3-(2,2-difluoroethoxy)propan-1-amine.

Molecular Properties

Compound Name1-(cyclohepten-1-yl)-3-(2,2-difluoroethoxy)propan-1-amine
PubChem CID103207519
Molecular FormulaC12H21F2NO
Molecular Weight233.30 g/mol
Exact Mass233.16
IUPAC Name1-(cyclohepten-1-yl)-3-(2,2-difluoroethoxy)propan-1-amine
SMILESNC(CCOCC(F)F)C1=CCCCCC1
InChIInChI=1S/C12H21F2NO/c13-12(14)9-16-8-7-11(15)10-5-3-1-2-4-6-10/h5,11-12H,1-4,6-9,15H2
InChIKeyZUEOCTWQFQRMCH-UHFFFAOYSA-N
XLogP2.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 52.88
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

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
5-Methylidene-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 103148073
6-Methyl-1-(2,2,2-trifluoroethoxy)hept-6-en-3-amine
CID 103148112
1-(2,2-Difluoroethoxy)-5-methylideneheptan-3-amine
CID 103148956
1-(2,2-Difluoroethoxy)-6-methylhept-6-en-3-amine
CID 103149006
1-(Cyclohexen-1-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207498
1-(Cyclohexen-1-yl)-3-(2,2-difluoroethoxy)propan-1-amine
CID 103207499
1-(Cyclohexen-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103207500
1-(cyclohexen-1-yl)-3-(2,2-difluoroethoxy)-N-methylpropan-1-amine
CID 103207502
1-(cyclohexen-1-yl)-3-(2,2-difluoroethoxy)-N-ethylpropan-1-amine
CID 103207504
1-(cyclohexen-1-yl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103207505

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohepten-1-yl)-3-(2,2-difluoroethoxy)propan-1-amine?
The IUPAC name of 1-(cyclohepten-1-yl)-3-(2,2-difluoroethoxy)propan-1-amine (CID 103207519) is 1-(cyclohepten-1-yl)-3-(2,2-difluoroethoxy)propan-1-amine.
What is the SMILES notation for 1-(cyclohepten-1-yl)-3-(2,2-difluoroethoxy)propan-1-amine?
The canonical SMILES for 1-(cyclohepten-1-yl)-3-(2,2-difluoroethoxy)propan-1-amine is NC(CCOCC(F)F)C1=CCCCCC1.
What is the InChIKey of 1-(cyclohepten-1-yl)-3-(2,2-difluoroethoxy)propan-1-amine?
The InChIKey is ZUEOCTWQFQRMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2NO/c13-12(14)9-16-8-7-11(15)10-5-3-1-2-4-6-10/h5,11-12H,1-4,6-9,15H2.
What are the key properties of 1-(cyclohepten-1-yl)-3-(2,2-difluoroethoxy)propan-1-amine?
1-(cyclohepten-1-yl)-3-(2,2-difluoroethoxy)propan-1-amine has a molecular weight of 233.30 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohepten-1-yl)-3-(2,2-difluoroethoxy)propan-1-amine is sourced from PubChem (CID 103207519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).