(2Z,4Z)-1,1,1,6,6,6-hexafluoro-2,5-dimethoxy-3,4-bis(trifluoromethyl)hexa-2,4-diene

C10H6F12O2 — CID 177437999

IUPAC(2Z,4Z)-1,1,1,6,6,6-hexafluoro-2,5-dimethoxy-3,4-bis(trifluoromethyl)hexa-2,4-diene
SMILESCO/C(=C(C(=C(/OC)C(F)(F)F)/C(F)(F)F)\C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H6F12O2/c1-23-5(9(17,18)19)3(7(11,12)13)4(8(14,15)16)6(24-2)10(20,21)22/h1-2H3/b5-3-,6-4-
InChIKeyMUIOQOJBRNHZQX-GLIMQPGKSA-N
MW386.13 g/mol
LogP5.04
Rot. Bonds3

About (2Z,4Z)-1,1,1,6,6,6-hexafluoro-2,5-dimethoxy-3,4-bis(trifluoromethyl)hexa-2,4-diene

(2Z,4Z)-1,1,1,6,6,6-hexafluoro-2,5-dimethoxy-3,4-bis(trifluoromethyl)hexa-2,4-diene (PubChem CID 177437999) has the molecular formula C10H6F12O2 and a molecular weight of 386.13 g/mol. Its IUPAC name is (2Z,4Z)-1,1,1,6,6,6-hexafluoro-2,5-dimethoxy-3,4-bis(trifluoromethyl)hexa-2,4-diene.

Molecular Properties

Compound Name(2Z,4Z)-1,1,1,6,6,6-hexafluoro-2,5-dimethoxy-3,4-bis(trifluoromethyl)hexa-2,4-diene
PubChem CID177437999
Molecular FormulaC10H6F12O2
Molecular Weight386.13 g/mol
Exact Mass386.02
IUPAC Name(2Z,4Z)-1,1,1,6,6,6-hexafluoro-2,5-dimethoxy-3,4-bis(trifluoromethyl)hexa-2,4-diene
SMILESCO/C(=C(C(=C(/OC)C(F)(F)F)/C(F)(F)F)\C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H6F12O2/c1-23-5(9(17,18)19)3(7(11,12)13)4(8(14,15)16)6(24-2)10(20,21)22/h1-2H3/b5-3-,6-4-
InChIKeyMUIOQOJBRNHZQX-GLIMQPGKSA-N
XLogP5.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.13
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 15124830
methyl carbonochloridate;bis(2,2,2-trifluoroacetic acid)
CID 172751542
methyl hydrogen carbonate;2,2,2-trifluoroacetic acid
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CID 146541686
N-methoxymethanamine;2,2,2-trifluoroacetic acid
CID 86135706
2,2,3,3,5,5,6,6-octafluoro-4-[(Z)-1,3,3,3-tetrafluoro-2-methoxyprop-1-enyl]morpholine
CID 118663194
(E)-1,2,3,3,3-pentafluoro-1-methoxyprop-1-ene
CID 10176261
2-(bromomethyl)-3,3,3-trifluoroprop-1-ene;methyl acetate
CID 75529888
1,1,1,4,4,4-hexafluoro-2-methoxybut-2-ene
CID 71356319
methyl 2-methylpropanoate;2,2,2-trifluoroacetic acid
CID 174483171
methyl 3,3-difluoro-2-(trifluoromethyl)prop-2-enoate;methyl 2-(trifluoromethyl)prop-2-enoate
CID 90771270

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-1,1,1,6,6,6-hexafluoro-2,5-dimethoxy-3,4-bis(trifluoromethyl)hexa-2,4-diene?
The IUPAC name of (2Z,4Z)-1,1,1,6,6,6-hexafluoro-2,5-dimethoxy-3,4-bis(trifluoromethyl)hexa-2,4-diene (CID 177437999) is (2Z,4Z)-1,1,1,6,6,6-hexafluoro-2,5-dimethoxy-3,4-bis(trifluoromethyl)hexa-2,4-diene.
What is the SMILES notation for (2Z,4Z)-1,1,1,6,6,6-hexafluoro-2,5-dimethoxy-3,4-bis(trifluoromethyl)hexa-2,4-diene?
The canonical SMILES for (2Z,4Z)-1,1,1,6,6,6-hexafluoro-2,5-dimethoxy-3,4-bis(trifluoromethyl)hexa-2,4-diene is CO/C(=C(C(=C(/OC)C(F)(F)F)/C(F)(F)F)\C(F)(F)F)C(F)(F)F.
What is the InChIKey of (2Z,4Z)-1,1,1,6,6,6-hexafluoro-2,5-dimethoxy-3,4-bis(trifluoromethyl)hexa-2,4-diene?
The InChIKey is MUIOQOJBRNHZQX-GLIMQPGKSA-N. The full InChI is InChI=1S/C10H6F12O2/c1-23-5(9(17,18)19)3(7(11,12)13)4(8(14,15)16)6(24-2)10(20,21)22/h1-2H3/b5-3-,6-4-.
What are the key properties of (2Z,4Z)-1,1,1,6,6,6-hexafluoro-2,5-dimethoxy-3,4-bis(trifluoromethyl)hexa-2,4-diene?
(2Z,4Z)-1,1,1,6,6,6-hexafluoro-2,5-dimethoxy-3,4-bis(trifluoromethyl)hexa-2,4-diene has a molecular weight of 386.13 g/mol, XLogP of 5.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-1,1,1,6,6,6-hexafluoro-2,5-dimethoxy-3,4-bis(trifluoromethyl)hexa-2,4-diene is sourced from PubChem (CID 177437999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).