N-[2-(azetidin-3-ylidene)propyl]-4,4,4-trifluorobutan-1-amine

C10H17F3N2 — CID 116680312

IUPACN-[2-(azetidin-3-ylidene)propyl]-4,4,4-trifluorobutan-1-amine
SMILESCC(CNCCCC(F)(F)F)=C1CNC1
InChIInChI=1S/C10H17F3N2/c1-8(9-6-15-7-9)5-14-4-2-3-10(11,12)13/h14-15H,2-7H2,1H3
InChIKeyVPIAJBRETQQUAZ-UHFFFAOYSA-N
MW222.25 g/mol
LogP1.84
Rot. Bonds5

About N-[2-(azetidin-3-ylidene)propyl]-4,4,4-trifluorobutan-1-amine

N-[2-(azetidin-3-ylidene)propyl]-4,4,4-trifluorobutan-1-amine (PubChem CID 116680312) has the molecular formula C10H17F3N2 and a molecular weight of 222.25 g/mol. Its IUPAC name is N-[2-(azetidin-3-ylidene)propyl]-4,4,4-trifluorobutan-1-amine.

Molecular Properties

Compound NameN-[2-(azetidin-3-ylidene)propyl]-4,4,4-trifluorobutan-1-amine
PubChem CID116680312
Molecular FormulaC10H17F3N2
Molecular Weight222.25 g/mol
Exact Mass222.13
IUPAC NameN-[2-(azetidin-3-ylidene)propyl]-4,4,4-trifluorobutan-1-amine
SMILESCC(CNCCCC(F)(F)F)=C1CNC1
InChIInChI=1S/C10H17F3N2/c1-8(9-6-15-7-9)5-14-4-2-3-10(11,12)13/h14-15H,2-7H2,1H3
InChIKeyVPIAJBRETQQUAZ-UHFFFAOYSA-N
XLogP1.84
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 51.84
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

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
2-(azetidin-3-ylidene)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 116679796
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]-5,5,5-trifluoropentan-1-amine
CID 116680315

Frequently Asked Questions

What is the IUPAC name of N-[2-(azetidin-3-ylidene)propyl]-4,4,4-trifluorobutan-1-amine?
The IUPAC name of N-[2-(azetidin-3-ylidene)propyl]-4,4,4-trifluorobutan-1-amine (CID 116680312) is N-[2-(azetidin-3-ylidene)propyl]-4,4,4-trifluorobutan-1-amine.
What is the SMILES notation for N-[2-(azetidin-3-ylidene)propyl]-4,4,4-trifluorobutan-1-amine?
The canonical SMILES for N-[2-(azetidin-3-ylidene)propyl]-4,4,4-trifluorobutan-1-amine is CC(CNCCCC(F)(F)F)=C1CNC1.
What is the InChIKey of N-[2-(azetidin-3-ylidene)propyl]-4,4,4-trifluorobutan-1-amine?
The InChIKey is VPIAJBRETQQUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2/c1-8(9-6-15-7-9)5-14-4-2-3-10(11,12)13/h14-15H,2-7H2,1H3.
What are the key properties of N-[2-(azetidin-3-ylidene)propyl]-4,4,4-trifluorobutan-1-amine?
N-[2-(azetidin-3-ylidene)propyl]-4,4,4-trifluorobutan-1-amine has a molecular weight of 222.25 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azetidin-3-ylidene)propyl]-4,4,4-trifluorobutan-1-amine is sourced from PubChem (CID 116680312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).