1-(cyclohepten-1-yl)-1-fluoroethanamine

C9H16FN — CID 105430737

IUPAC1-(cyclohepten-1-yl)-1-fluoroethanamine
SMILESCC(N)(F)C1=CCCCCC1
InChIInChI=1S/C9H16FN/c1-9(10,11)8-6-4-2-3-5-7-8/h6H,2-5,7,11H2,1H3
InChIKeyAOANSEXDUFAUDF-UHFFFAOYSA-N
MW157.23 g/mol
LogP2.52
Rot. Bonds1

About 1-(cyclohepten-1-yl)-1-fluoroethanamine

1-(cyclohepten-1-yl)-1-fluoroethanamine (PubChem CID 105430737) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is 1-(cyclohepten-1-yl)-1-fluoroethanamine.

Molecular Properties

Compound Name1-(cyclohepten-1-yl)-1-fluoroethanamine
PubChem CID105430737
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name1-(cyclohepten-1-yl)-1-fluoroethanamine
SMILESCC(N)(F)C1=CCCCCC1
InChIInChI=1S/C9H16FN/c1-9(10,11)8-6-4-2-3-5-7-8/h6H,2-5,7,11H2,1H3
InChIKeyAOANSEXDUFAUDF-UHFFFAOYSA-N
XLogP2.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-(cyclohexen-1-yl)ethane-1,1-diamine
CID 22286699
2-[(1E)-cyclododecen-1-yl]propan-2-ol
CID 88736896
2-(cyclohepten-1-yl)-2,2-difluoroethanamine
CID 105436113
2-(cyclohepten-1-yl)-2-fluorobutan-1-amine
CID 106655044
2-(cyclohexen-1-yl)-2-fluoropropanoic acid
CID 105435083
3-[1-(cyclohepten-1-yl)-1-fluoroethyl]piperidine
CID 106655034
1-(1,1,2,2,3,3,3-heptafluoropropyl)cyclohexene
CID 23233433
1-tert-butylcyclopentene
CID 13414410
2-(cycloocten-1-yl)-2-cyclopropyl-2-fluoroethanamine
CID 106655054
3-amino-2-(cyclohexen-1-yl)-2-methylpropan-1-ol
CID 13460670
1-tert-butylcyclopentene;methane
CID 160666410
N-[2-(cyclohexen-1-yl)-2,2-difluoroethyl]propan-2-amine
CID 116662296

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohepten-1-yl)-1-fluoroethanamine?
The IUPAC name of 1-(cyclohepten-1-yl)-1-fluoroethanamine (CID 105430737) is 1-(cyclohepten-1-yl)-1-fluoroethanamine.
What is the SMILES notation for 1-(cyclohepten-1-yl)-1-fluoroethanamine?
The canonical SMILES for 1-(cyclohepten-1-yl)-1-fluoroethanamine is CC(N)(F)C1=CCCCCC1.
What is the InChIKey of 1-(cyclohepten-1-yl)-1-fluoroethanamine?
The InChIKey is AOANSEXDUFAUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN/c1-9(10,11)8-6-4-2-3-5-7-8/h6H,2-5,7,11H2,1H3.
What are the key properties of 1-(cyclohepten-1-yl)-1-fluoroethanamine?
1-(cyclohepten-1-yl)-1-fluoroethanamine has a molecular weight of 157.23 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohepten-1-yl)-1-fluoroethanamine is sourced from PubChem (CID 105430737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).