3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluorodec-2-en-1-ol

C10H4F16O — CID 162396495

IUPAC3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluorodec-2-en-1-ol
SMILESOCC=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H4F16O/c11-3(1-2-27)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)26/h1,27H,2H2
InChIKeyFLEHTDGKLLDEFH-UHFFFAOYSA-N
MW444.11 g/mol
LogP5.21
Rot. Bonds7

About 3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluorodec-2-en-1-ol

3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluorodec-2-en-1-ol (PubChem CID 162396495) has the molecular formula C10H4F16O and a molecular weight of 444.11 g/mol. Its IUPAC name is 3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluorodec-2-en-1-ol.

Molecular Properties

Compound Name3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluorodec-2-en-1-ol
PubChem CID162396495
Molecular FormulaC10H4F16O
Molecular Weight444.11 g/mol
Exact Mass444.00
IUPAC Name3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluorodec-2-en-1-ol
SMILESOCC=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H4F16O/c11-3(1-2-27)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)26/h1,27H,2H2
InChIKeyFLEHTDGKLLDEFH-UHFFFAOYSA-N
XLogP5.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.11
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluorodec-2-en-1-ol?
The IUPAC name of 3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluorodec-2-en-1-ol (CID 162396495) is 3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluorodec-2-en-1-ol.
What is the SMILES notation for 3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluorodec-2-en-1-ol?
The canonical SMILES for 3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluorodec-2-en-1-ol is OCC=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluorodec-2-en-1-ol?
The InChIKey is FLEHTDGKLLDEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F16O/c11-3(1-2-27)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)26/h1,27H,2H2.
What are the key properties of 3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluorodec-2-en-1-ol?
3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluorodec-2-en-1-ol has a molecular weight of 444.11 g/mol, XLogP of 5.21, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-hexadecafluorodec-2-en-1-ol is sourced from PubChem (CID 162396495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).