1-but-1-en-2-yloxy-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane

C10H7F13O — CID 54519536

IUPAC1-but-1-en-2-yloxy-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane
SMILESC=C(CC)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H7F13O/c1-3-4(2)24-10(22,23)8(17,18)6(13,14)5(11,12)7(15,16)9(19,20)21/h2-3H2,1H3
InChIKeyYOULVDCTJZCHHN-UHFFFAOYSA-N
MW390.14 g/mol
LogP5.62
Rot. Bonds7

About 1-but-1-en-2-yloxy-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane

1-but-1-en-2-yloxy-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane (PubChem CID 54519536) has the molecular formula C10H7F13O and a molecular weight of 390.14 g/mol. Its IUPAC name is 1-but-1-en-2-yloxy-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane.

Molecular Properties

Compound Name1-but-1-en-2-yloxy-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane
PubChem CID54519536
Molecular FormulaC10H7F13O
Molecular Weight390.14 g/mol
Exact Mass390.03
IUPAC Name1-but-1-en-2-yloxy-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane
SMILESC=C(CC)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H7F13O/c1-3-4(2)24-10(22,23)8(17,18)6(13,14)5(11,12)7(15,16)9(19,20)21/h2-3H2,1H3
InChIKeyYOULVDCTJZCHHN-UHFFFAOYSA-N
XLogP5.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.14
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-but-1-en-2-yloxy-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane with MolForge

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Related Compounds

1-But-1-en-2-yloxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane
CID 53736891
3,4,4,5,5,6,6-Heptafluoro-2-(3,4,4,5,5,6,6-heptafluorohex-1-en-2-yloxy)hex-1-ene
CID 87882265
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-Hexafluoro-2-(4,4,5,5,6,6-hexafluorohex-1-en-2-yloxy)hex-1-ene
CID 87940548
5,5,6,6,6-Pentafluoro-2-(5,5,6,6,6-pentafluorohex-1-en-2-yloxy)hex-1-ene
CID 87940738
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
3,3,4,4,5,5,6,6,7,7,7-Undecafluoro-2-(3,3,4,4,5,5,6,6,7,7,7-undecafluorohept-1-en-2-yloxy)hept-1-ene
CID 88108079
3,3,4,4,5,5,6,6,6-Nonafluoro-2-(2-fluoropropan-2-yloxy)hex-1-ene
CID 88596769
5-Fluoro-2-(5-fluorohept-1-en-2-yloxy)hept-1-ene
CID 88617189
1-Fluoro-2-(1-fluorohept-1-en-2-yloxy)hept-1-ene
CID 173392544

Frequently Asked Questions

What is the IUPAC name of 1-but-1-en-2-yloxy-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane?
The IUPAC name of 1-but-1-en-2-yloxy-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane (CID 54519536) is 1-but-1-en-2-yloxy-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane.
What is the SMILES notation for 1-but-1-en-2-yloxy-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane?
The canonical SMILES for 1-but-1-en-2-yloxy-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane is C=C(CC)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-but-1-en-2-yloxy-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane?
The InChIKey is YOULVDCTJZCHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F13O/c1-3-4(2)24-10(22,23)8(17,18)6(13,14)5(11,12)7(15,16)9(19,20)21/h2-3H2,1H3.
What are the key properties of 1-but-1-en-2-yloxy-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane?
1-but-1-en-2-yloxy-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane has a molecular weight of 390.14 g/mol, XLogP of 5.62, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-1-en-2-yloxy-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane is sourced from PubChem (CID 54519536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).