3-(14-fluoro-12-methylidenepentadecyl)oxetan-3-amine

C19H36FNO — CID 164916280

IUPAC3-(14-fluoro-12-methylidenepentadecyl)oxetan-3-amine
SMILESC=C(CCCCCCCCCCCC1(N)COC1)CC(C)F
InChIInChI=1S/C19H36FNO/c1-17(14-18(2)20)12-10-8-6-4-3-5-7-9-11-13-19(21)15-22-16-19/h18H,1,3-16,21H2,2H3
InChIKeyGPFYHSUWWVLUBG-UHFFFAOYSA-N
MW313.50 g/mol
LogP5.31
Rot. Bonds14

About 3-(14-fluoro-12-methylidenepentadecyl)oxetan-3-amine

3-(14-fluoro-12-methylidenepentadecyl)oxetan-3-amine (PubChem CID 164916280) has the molecular formula C19H36FNO and a molecular weight of 313.50 g/mol. Its IUPAC name is 3-(14-fluoro-12-methylidenepentadecyl)oxetan-3-amine.

Molecular Properties

Compound Name3-(14-fluoro-12-methylidenepentadecyl)oxetan-3-amine
PubChem CID164916280
Molecular FormulaC19H36FNO
Molecular Weight313.50 g/mol
Exact Mass313.28
IUPAC Name3-(14-fluoro-12-methylidenepentadecyl)oxetan-3-amine
SMILESC=C(CCCCCCCCCCCC1(N)COC1)CC(C)F
InChIInChI=1S/C19H36FNO/c1-17(14-18(2)20)12-10-8-6-4-3-5-7-9-11-13-19(21)15-22-16-19/h18H,1,3-16,21H2,2H3
InChIKeyGPFYHSUWWVLUBG-UHFFFAOYSA-N
XLogP5.31
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.50
LogP ≤ 55.31
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

2-Amino-2-(fluoromethyl)-10-methylideneoctadecan-1-ol
CID 123660766
3-[13-(Difluoromethyl)tetradec-13-enyl]oxetan-3-amine
CID 164916174
3-[(E)-13-fluoro-11-methylidenetridec-12-enyl]oxetan-3-amine
CID 164916464

Frequently Asked Questions

What is the IUPAC name of 3-(14-fluoro-12-methylidenepentadecyl)oxetan-3-amine?
The IUPAC name of 3-(14-fluoro-12-methylidenepentadecyl)oxetan-3-amine (CID 164916280) is 3-(14-fluoro-12-methylidenepentadecyl)oxetan-3-amine.
What is the SMILES notation for 3-(14-fluoro-12-methylidenepentadecyl)oxetan-3-amine?
The canonical SMILES for 3-(14-fluoro-12-methylidenepentadecyl)oxetan-3-amine is C=C(CCCCCCCCCCCC1(N)COC1)CC(C)F.
What is the InChIKey of 3-(14-fluoro-12-methylidenepentadecyl)oxetan-3-amine?
The InChIKey is GPFYHSUWWVLUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36FNO/c1-17(14-18(2)20)12-10-8-6-4-3-5-7-9-11-13-19(21)15-22-16-19/h18H,1,3-16,21H2,2H3.
What are the key properties of 3-(14-fluoro-12-methylidenepentadecyl)oxetan-3-amine?
3-(14-fluoro-12-methylidenepentadecyl)oxetan-3-amine has a molecular weight of 313.50 g/mol, XLogP of 5.31, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(14-fluoro-12-methylidenepentadecyl)oxetan-3-amine is sourced from PubChem (CID 164916280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).