2-(azetidin-3-ylidene)-N-(2-fluoroethyl)propan-1-amine

C8H15FN2 — CID 130504589

IUPAC2-(azetidin-3-ylidene)-N-(2-fluoroethyl)propan-1-amine
SMILESCC(CNCCF)=C1CNC1
InChIInChI=1S/C8H15FN2/c1-7(4-10-3-2-9)8-5-11-6-8/h10-11H,2-6H2,1H3
InChIKeyCXJCNERAECDCEK-UHFFFAOYSA-N
MW158.22 g/mol
LogP0.47
Rot. Bonds4

About 2-(azetidin-3-ylidene)-N-(2-fluoroethyl)propan-1-amine

2-(azetidin-3-ylidene)-N-(2-fluoroethyl)propan-1-amine (PubChem CID 130504589) has the molecular formula C8H15FN2 and a molecular weight of 158.22 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-N-(2-fluoroethyl)propan-1-amine.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-N-(2-fluoroethyl)propan-1-amine
PubChem CID130504589
Molecular FormulaC8H15FN2
Molecular Weight158.22 g/mol
Exact Mass158.12
IUPAC Name2-(azetidin-3-ylidene)-N-(2-fluoroethyl)propan-1-amine
SMILESCC(CNCCF)=C1CNC1
InChIInChI=1S/C8H15FN2/c1-7(4-10-3-2-9)8-5-11-6-8/h10-11H,2-6H2,1H3
InChIKeyCXJCNERAECDCEK-UHFFFAOYSA-N
XLogP0.47
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 50.47
H-Bond Donors ≤ 52
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

2-(azetidin-3-ylidene)-2-fluoro-N-methylethanamine
CID 89066221
N-[2-(azetidin-3-ylidene)propyl]-4,4,4-trifluorobutan-2-amine
CID 105946090
N-[2-(azetidin-3-ylidene)propyl]-1-(trifluoromethyl)cyclopropan-1-amine
CID 106219261
N-[2-(azetidin-3-ylidene)propyl]-2,2,3,3-tetrafluoropropan-1-amine
CID 106293760
2-(azetidin-3-ylidene)-N-methyl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 116679473
2-(azetidin-3-ylidene)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 116679545
2-(azetidin-3-ylidene)-N-ethyl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 116679781
2-(azetidin-3-ylidene)-N-propyl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 116679793
N-[2-(azetidin-3-ylidene)propyl]-3,3,3-trifluoropropan-1-amine
CID 116680019
N-[2-(azetidin-3-ylidene)propyl]-3,3,3-trifluoro-N-methylpropan-1-amine
CID 116680184
2-(azetidin-3-ylidene)-N-(2,2-difluoroethyl)propan-1-amine
CID 116680309
N-[2-(azetidin-3-ylidene)propyl]-4,4,4-trifluorobutan-1-amine
CID 116680312

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-N-(2-fluoroethyl)propan-1-amine?
The IUPAC name of 2-(azetidin-3-ylidene)-N-(2-fluoroethyl)propan-1-amine (CID 130504589) is 2-(azetidin-3-ylidene)-N-(2-fluoroethyl)propan-1-amine.
What is the SMILES notation for 2-(azetidin-3-ylidene)-N-(2-fluoroethyl)propan-1-amine?
The canonical SMILES for 2-(azetidin-3-ylidene)-N-(2-fluoroethyl)propan-1-amine is CC(CNCCF)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-N-(2-fluoroethyl)propan-1-amine?
The InChIKey is CXJCNERAECDCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FN2/c1-7(4-10-3-2-9)8-5-11-6-8/h10-11H,2-6H2,1H3.
What are the key properties of 2-(azetidin-3-ylidene)-N-(2-fluoroethyl)propan-1-amine?
2-(azetidin-3-ylidene)-N-(2-fluoroethyl)propan-1-amine has a molecular weight of 158.22 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-N-(2-fluoroethyl)propan-1-amine is sourced from PubChem (CID 130504589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).