3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorodec-1-ene

C10H8F12 — CID 19913308

IUPAC3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorodec-1-ene
SMILESC=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC
InChIInChI=1S/C10H8F12/c1-3-5(11,12)7(15,16)9(19,20)10(21,22)8(17,18)6(13,14)4-2/h3H,1,4H2,2H3
InChIKeyGJTCVMRSAJMHMN-UHFFFAOYSA-N
MW356.15 g/mol
LogP5.39
Rot. Bonds7

About 3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorodec-1-ene

3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorodec-1-ene (PubChem CID 19913308) has the molecular formula C10H8F12 and a molecular weight of 356.15 g/mol. Its IUPAC name is 3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorodec-1-ene.

Molecular Properties

Compound Name3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorodec-1-ene
PubChem CID19913308
Molecular FormulaC10H8F12
Molecular Weight356.15 g/mol
Exact Mass356.04
IUPAC Name3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorodec-1-ene
SMILESC=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC
InChIInChI=1S/C10H8F12/c1-3-5(11,12)7(15,16)9(19,20)10(21,22)8(17,18)6(13,14)4-2/h3H,1,4H2,2H3
InChIKeyGJTCVMRSAJMHMN-UHFFFAOYSA-N
XLogP5.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.15
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-hexadecafluorododeca-1,11-diene
CID 2737145
(15E)-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-icosafluoroheptadeca-1,15-diene
CID 89419263
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,22,22,23,23,24,24,25,25,26,26,27,27,28,28,29,29,30,30,31,31-trihexacontafluorotritriacontane
CID 175957898
ethane;1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-pentacosafluorotetradecane
CID 142493287
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodec-1-ene;hydroiodide
CID 175246817
triethoxy(3,3,4,4,5,5,6,6-octafluorooct-7-enyl)silane
CID 18008749
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooct-1-ene;triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
CID 158341824
2,2,3,3,4,4,5,5,6,6,7,7-dodecafluorononan-1-ol
CID 162621203
3,3,4,4,5,5,6-heptafluorohex-1-ene
CID 20793154
dichloro-methyl-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16-octacosafluorooctadec-17-enyl)silane;trichloro(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16-octacosafluorooctadec-17-enyl)silane
CID 91593862
3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorodec-9-enyl-bis[[hydroxy(dimethyl)silyl]oxy]-methylsilane
CID 21361130
6-chloro-3,3,4,4,5,5,6,6-octafluorohex-1-ene
CID 10923361

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorodec-1-ene?
The IUPAC name of 3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorodec-1-ene (CID 19913308) is 3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorodec-1-ene.
What is the SMILES notation for 3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorodec-1-ene?
The canonical SMILES for 3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorodec-1-ene is C=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC.
What is the InChIKey of 3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorodec-1-ene?
The InChIKey is GJTCVMRSAJMHMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F12/c1-3-5(11,12)7(15,16)9(19,20)10(21,22)8(17,18)6(13,14)4-2/h3H,1,4H2,2H3.
What are the key properties of 3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorodec-1-ene?
3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorodec-1-ene has a molecular weight of 356.15 g/mol, XLogP of 5.39, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5,6,6,7,7,8,8-dodecafluorodec-1-ene is sourced from PubChem (CID 19913308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).