1-fluoro-2-(1-fluorohept-1-en-2-yloxy)hept-1-ene

C14H24F2O — CID 173392544

IUPAC1-fluoro-2-(1-fluorohept-1-en-2-yloxy)hept-1-ene
SMILESCCCCCC(=CF)OC(=CF)CCCCC
InChIInChI=1S/C14H24F2O/c1-3-5-7-9-13(11-15)17-14(12-16)10-8-6-4-2/h11-12H,3-10H2,1-2H3
InChIKeyGUNATWTVNUUKBJ-UHFFFAOYSA-N
MW246.34 g/mol
LogP5.79
Rot. Bonds10

About 1-fluoro-2-(1-fluorohept-1-en-2-yloxy)hept-1-ene

1-fluoro-2-(1-fluorohept-1-en-2-yloxy)hept-1-ene (PubChem CID 173392544) has the molecular formula C14H24F2O and a molecular weight of 246.34 g/mol. Its IUPAC name is 1-fluoro-2-(1-fluorohept-1-en-2-yloxy)hept-1-ene.

Molecular Properties

Compound Name1-fluoro-2-(1-fluorohept-1-en-2-yloxy)hept-1-ene
PubChem CID173392544
Molecular FormulaC14H24F2O
Molecular Weight246.34 g/mol
Exact Mass246.18
IUPAC Name1-fluoro-2-(1-fluorohept-1-en-2-yloxy)hept-1-ene
SMILESCCCCCC(=CF)OC(=CF)CCCCC
InChIInChI=1S/C14H24F2O/c1-3-5-7-9-13(11-15)17-14(12-16)10-8-6-4-2/h11-12H,3-10H2,1-2H3
InChIKeyGUNATWTVNUUKBJ-UHFFFAOYSA-N
XLogP5.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500246.34
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-Methoxy-1-heptene
CID 551618
1-But-1-en-2-yloxy-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane
CID 54519536
3-Fluoro-2-(3-fluoropent-1-en-2-yloxy)pent-1-ene
CID 87085846
6-Fluoro-2-(6-fluorohex-1-en-2-yloxy)hex-1-ene
CID 87198963
3-Fluoro-2-(3-fluorohex-1-en-2-yloxy)hex-1-ene
CID 87198965
4,4,5,5,6,6,7,7-Octafluoro-2-(4,4,5,5,6,6,7,7-octafluorohept-1-en-2-yloxy)hept-1-ene
CID 87940521
4,4,5,5,6,6,7,7,7-Nonafluoro-2-(4,4,5,5,6,6,7,7,7-nonafluorohept-1-en-2-yloxy)hept-1-ene
CID 87940799
1-Fluoro-2-(1-fluoropent-1-en-2-yloxy)pent-1-ene
CID 88081606
5-Fluoro-2-(5-fluorohept-1-en-2-yloxy)hept-1-ene
CID 88617189
7-Fluoro-2-(7-fluorohept-1-en-2-yloxy)hept-1-ene
CID 88787978
Ethane;2-ethoxy-6,6-difluorohept-1-ene
CID 144307267
2-Ethoxy-6,6-difluorohept-1-ene
CID 144307268

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-(1-fluorohept-1-en-2-yloxy)hept-1-ene?
The IUPAC name of 1-fluoro-2-(1-fluorohept-1-en-2-yloxy)hept-1-ene (CID 173392544) is 1-fluoro-2-(1-fluorohept-1-en-2-yloxy)hept-1-ene.
What is the SMILES notation for 1-fluoro-2-(1-fluorohept-1-en-2-yloxy)hept-1-ene?
The canonical SMILES for 1-fluoro-2-(1-fluorohept-1-en-2-yloxy)hept-1-ene is CCCCCC(=CF)OC(=CF)CCCCC.
What is the InChIKey of 1-fluoro-2-(1-fluorohept-1-en-2-yloxy)hept-1-ene?
The InChIKey is GUNATWTVNUUKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F2O/c1-3-5-7-9-13(11-15)17-14(12-16)10-8-6-4-2/h11-12H,3-10H2,1-2H3.
What are the key properties of 1-fluoro-2-(1-fluorohept-1-en-2-yloxy)hept-1-ene?
1-fluoro-2-(1-fluorohept-1-en-2-yloxy)hept-1-ene has a molecular weight of 246.34 g/mol, XLogP of 5.79, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-(1-fluorohept-1-en-2-yloxy)hept-1-ene is sourced from PubChem (CID 173392544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).