(3Z)-7,7,8,8-tetrafluoro-3,4-di(propan-2-yl)octa-1,3-diene

C14H22F4 — CID 177485167

IUPAC(3Z)-7,7,8,8-tetrafluoro-3,4-di(propan-2-yl)octa-1,3-diene
SMILESC=C/C(=C(/CCC(F)(F)C(F)F)C(C)C)C(C)C
InChIInChI=1S/C14H22F4/c1-6-11(9(2)3)12(10(4)5)7-8-14(17,18)13(15)16/h6,9-10,13H,1,7-8H2,2-5H3/b12-11+
InChIKeyOUHSVAWCMITPPV-VAWYXSNFSA-N
MW266.32 g/mol
LogP5.46
Rot. Bonds7

About (3Z)-7,7,8,8-tetrafluoro-3,4-di(propan-2-yl)octa-1,3-diene

(3Z)-7,7,8,8-tetrafluoro-3,4-di(propan-2-yl)octa-1,3-diene (PubChem CID 177485167) has the molecular formula C14H22F4 and a molecular weight of 266.32 g/mol. Its IUPAC name is (3Z)-7,7,8,8-tetrafluoro-3,4-di(propan-2-yl)octa-1,3-diene.

Molecular Properties

Compound Name(3Z)-7,7,8,8-tetrafluoro-3,4-di(propan-2-yl)octa-1,3-diene
PubChem CID177485167
Molecular FormulaC14H22F4
Molecular Weight266.32 g/mol
Exact Mass266.17
IUPAC Name(3Z)-7,7,8,8-tetrafluoro-3,4-di(propan-2-yl)octa-1,3-diene
SMILESC=C/C(=C(/CCC(F)(F)C(F)F)C(C)C)C(C)C
InChIInChI=1S/C14H22F4/c1-6-11(9(2)3)12(10(4)5)7-8-14(17,18)13(15)16/h6,9-10,13H,1,7-8H2,2-5H3/b12-11+
InChIKeyOUHSVAWCMITPPV-VAWYXSNFSA-N
XLogP5.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.32
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-3,4-di(propan-2-yl)hexa-1,3,5-triene
CID 145336445
(4S)-4-(2,2,3,3-tetrafluoropropoxy)pent-1-en-3-one
CID 167252091
3-fluoro-3-(fluoromethyl)-6-methyl-5-methylidenehept-1-ene
CID 143909189
4,5-difluoro-3-propan-2-ylhepta-1,3,5-triene
CID 123433916
4,4,5,5-tetrafluoropentan-2-ol
CID 131061196
6,6-dimethyl-3-methylidenehept-1-ene
CID 153290519
4,4-difluoropent-1-en-3-one
CID 89392918
4-chloro-1,1,2,2-tetrafluorobutane
CID 54131491
4,4-difluoro-3-methylidenepent-1-ene
CID 134189275
(3Z)-6-fluoro-5,5,6-trimethyl-3-propan-2-ylhepta-1,3-diene
CID 134578289
(E)-6,6,7,7-tetrafluoro-3-methyl-1-phenylhept-2-en-1-one
CID 122371780
(E)-8,8,9,9-tetrafluoro-5-methyl-1-propoxynon-4-ene
CID 149416341

Frequently Asked Questions

What is the IUPAC name of (3Z)-7,7,8,8-tetrafluoro-3,4-di(propan-2-yl)octa-1,3-diene?
The IUPAC name of (3Z)-7,7,8,8-tetrafluoro-3,4-di(propan-2-yl)octa-1,3-diene (CID 177485167) is (3Z)-7,7,8,8-tetrafluoro-3,4-di(propan-2-yl)octa-1,3-diene.
What is the SMILES notation for (3Z)-7,7,8,8-tetrafluoro-3,4-di(propan-2-yl)octa-1,3-diene?
The canonical SMILES for (3Z)-7,7,8,8-tetrafluoro-3,4-di(propan-2-yl)octa-1,3-diene is C=C/C(=C(/CCC(F)(F)C(F)F)C(C)C)C(C)C.
What is the InChIKey of (3Z)-7,7,8,8-tetrafluoro-3,4-di(propan-2-yl)octa-1,3-diene?
The InChIKey is OUHSVAWCMITPPV-VAWYXSNFSA-N. The full InChI is InChI=1S/C14H22F4/c1-6-11(9(2)3)12(10(4)5)7-8-14(17,18)13(15)16/h6,9-10,13H,1,7-8H2,2-5H3/b12-11+.
What are the key properties of (3Z)-7,7,8,8-tetrafluoro-3,4-di(propan-2-yl)octa-1,3-diene?
(3Z)-7,7,8,8-tetrafluoro-3,4-di(propan-2-yl)octa-1,3-diene has a molecular weight of 266.32 g/mol, XLogP of 5.46, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-7,7,8,8-tetrafluoro-3,4-di(propan-2-yl)octa-1,3-diene is sourced from PubChem (CID 177485167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).