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

C11H19F2NO — CID 103207499

IUPAC1-(cyclohexen-1-yl)-3-(2,2-difluoroethoxy)propan-1-amine
SMILESNC(CCOCC(F)F)C1=CCCCC1
InChIInChI=1S/C11H19F2NO/c12-11(13)8-15-7-6-10(14)9-4-2-1-3-5-9/h4,10-11H,1-3,5-8,14H2
InChIKeySBCWICYCTAQHBS-UHFFFAOYSA-N
MW219.27 g/mol
LogP2.49
Rot. Bonds6

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

1-(cyclohexen-1-yl)-3-(2,2-difluoroethoxy)propan-1-amine (PubChem CID 103207499) has the molecular formula C11H19F2NO and a molecular weight of 219.27 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-3-(2,2-difluoroethoxy)propan-1-amine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-3-(2,2-difluoroethoxy)propan-1-amine
PubChem CID103207499
Molecular FormulaC11H19F2NO
Molecular Weight219.27 g/mol
Exact Mass219.14
IUPAC Name1-(cyclohexen-1-yl)-3-(2,2-difluoroethoxy)propan-1-amine
SMILESNC(CCOCC(F)F)C1=CCCCC1
InChIInChI=1S/C11H19F2NO/c12-11(13)8-15-7-6-10(14)9-4-2-1-3-5-9/h4,10-11H,1-3,5-8,14H2
InChIKeySBCWICYCTAQHBS-UHFFFAOYSA-N
XLogP2.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 52.49
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
5,5-Dimethyl-3-[3-(2,2,2-trifluoroethoxy)propyl]cyclohex-2-en-1-amine
CID 65177475
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-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103207500
1-(cyclohexen-1-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207501
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

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-3-(2,2-difluoroethoxy)propan-1-amine?
The IUPAC name of 1-(cyclohexen-1-yl)-3-(2,2-difluoroethoxy)propan-1-amine (CID 103207499) is 1-(cyclohexen-1-yl)-3-(2,2-difluoroethoxy)propan-1-amine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-3-(2,2-difluoroethoxy)propan-1-amine?
The canonical SMILES for 1-(cyclohexen-1-yl)-3-(2,2-difluoroethoxy)propan-1-amine is NC(CCOCC(F)F)C1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-3-(2,2-difluoroethoxy)propan-1-amine?
The InChIKey is SBCWICYCTAQHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO/c12-11(13)8-15-7-6-10(14)9-4-2-1-3-5-9/h4,10-11H,1-3,5-8,14H2.
What are the key properties of 1-(cyclohexen-1-yl)-3-(2,2-difluoroethoxy)propan-1-amine?
1-(cyclohexen-1-yl)-3-(2,2-difluoroethoxy)propan-1-amine has a molecular weight of 219.27 g/mol, XLogP of 2.49, 6 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)propan-1-amine is sourced from PubChem (CID 103207499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).