2-(cyclohepten-1-yl)-2,2-difluoroethanamine

C9H15F2N — CID 105436113

IUPAC2-(cyclohepten-1-yl)-2,2-difluoroethanamine
SMILESNCC(F)(F)C1=CCCCCC1
InChIInChI=1S/C9H15F2N/c10-9(11,7-12)8-5-3-1-2-4-6-8/h5H,1-4,6-7,12H2
InChIKeyABCNDYLMDNHQBY-UHFFFAOYSA-N
MW175.22 g/mol
LogP2.47
Rot. Bonds2

About 2-(cyclohepten-1-yl)-2,2-difluoroethanamine

2-(cyclohepten-1-yl)-2,2-difluoroethanamine (PubChem CID 105436113) has the molecular formula C9H15F2N and a molecular weight of 175.22 g/mol. Its IUPAC name is 2-(cyclohepten-1-yl)-2,2-difluoroethanamine.

Molecular Properties

Compound Name2-(cyclohepten-1-yl)-2,2-difluoroethanamine
PubChem CID105436113
Molecular FormulaC9H15F2N
Molecular Weight175.22 g/mol
Exact Mass175.12
IUPAC Name2-(cyclohepten-1-yl)-2,2-difluoroethanamine
SMILESNCC(F)(F)C1=CCCCCC1
InChIInChI=1S/C9H15F2N/c10-9(11,7-12)8-5-3-1-2-4-6-8/h5H,1-4,6-7,12H2
InChIKeyABCNDYLMDNHQBY-UHFFFAOYSA-N
XLogP2.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.22
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclohepten-1-yl)-2-fluorobutan-1-amine
CID 106655044
2-(cycloocten-1-yl)-2-cyclopropyl-2-fluoroethanamine
CID 106655054
1-(cyclohepten-1-yl)-1-fluoroethanamine
CID 105430737
N-[2-(cyclohexen-1-yl)-2,2-difluoroethyl]propan-2-amine
CID 116662296
3-amino-2-(cyclohexen-1-yl)-2-methylpropan-1-ol
CID 13460670
1-(1,1,2,2,3,3,3-heptafluoropropyl)cyclohexene
CID 23233433
1-(cyclohexen-1-yl)ethane-1,1-diamine
CID 22286699
2-[(1E)-cyclododecen-1-yl]propan-2-ol
CID 88736896
2-(cyclohexen-1-yl)-2-fluoropropanoic acid
CID 105435083
1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclopentene
CID 172811458
cyclododecen-1-ylmethanamine
CID 70571219
2-(cycloocten-1-yl)-2-fluoroethanamine
CID 106655011

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohepten-1-yl)-2,2-difluoroethanamine?
The IUPAC name of 2-(cyclohepten-1-yl)-2,2-difluoroethanamine (CID 105436113) is 2-(cyclohepten-1-yl)-2,2-difluoroethanamine.
What is the SMILES notation for 2-(cyclohepten-1-yl)-2,2-difluoroethanamine?
The canonical SMILES for 2-(cyclohepten-1-yl)-2,2-difluoroethanamine is NCC(F)(F)C1=CCCCCC1.
What is the InChIKey of 2-(cyclohepten-1-yl)-2,2-difluoroethanamine?
The InChIKey is ABCNDYLMDNHQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N/c10-9(11,7-12)8-5-3-1-2-4-6-8/h5H,1-4,6-7,12H2.
What are the key properties of 2-(cyclohepten-1-yl)-2,2-difluoroethanamine?
2-(cyclohepten-1-yl)-2,2-difluoroethanamine has a molecular weight of 175.22 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohepten-1-yl)-2,2-difluoroethanamine is sourced from PubChem (CID 105436113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).