(2E,4E)-4-(1,1-difluoroethyl)-7,7,7-trifluorohepta-2,4-diene

C9H11F5 — CID 163785608

IUPAC(2E,4E)-4-(1,1-difluoroethyl)-7,7,7-trifluorohepta-2,4-diene
SMILESC/C=C/C(=C\CC(F)(F)F)C(C)(F)F
InChIInChI=1S/C9H11F5/c1-3-4-7(8(2,10)11)5-6-9(12,13)14/h3-5H,6H2,1-2H3/b4-3+,7-5+
InChIKeyMSGNNAPUUHWKBA-BDWKERMESA-N
MW214.18 g/mol
LogP4.10
Rot. Bonds3

About (2E,4E)-4-(1,1-difluoroethyl)-7,7,7-trifluorohepta-2,4-diene

(2E,4E)-4-(1,1-difluoroethyl)-7,7,7-trifluorohepta-2,4-diene (PubChem CID 163785608) has the molecular formula C9H11F5 and a molecular weight of 214.18 g/mol. Its IUPAC name is (2E,4E)-4-(1,1-difluoroethyl)-7,7,7-trifluorohepta-2,4-diene.

Molecular Properties

Compound Name(2E,4E)-4-(1,1-difluoroethyl)-7,7,7-trifluorohepta-2,4-diene
PubChem CID163785608
Molecular FormulaC9H11F5
Molecular Weight214.18 g/mol
Exact Mass214.08
IUPAC Name(2E,4E)-4-(1,1-difluoroethyl)-7,7,7-trifluorohepta-2,4-diene
SMILESC/C=C/C(=C\CC(F)(F)F)C(C)(F)F
InChIInChI=1S/C9H11F5/c1-3-4-7(8(2,10)11)5-6-9(12,13)14/h3-5H,6H2,1-2H3/b4-3+,7-5+
InChIKeyMSGNNAPUUHWKBA-BDWKERMESA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethane;(2E,4Z)-3-(trifluoromethyl)hexa-2,4-diene
CID 144657278
(Z)-5,5,5-trifluoropent-2-en-2-amine
CID 155429423
(2Z,4E,7E,9Z)-5,7-bis[(Z)-prop-1-enyl]-6,6-bis(trifluoromethyl)undeca-2,4,7,9-tetraene
CID 135298694
(2E,4E,6E)-3,5-bis(trifluoromethyl)octa-2,4,6-triene
CID 143161230
(4E,6Z)-3,5-bis(trifluoromethyl)octa-2,4,6-triene
CID 173482598
(4E,6Z)-4-(trifluoromethyl)octa-2,4,6-triene
CID 146353509
7,7,7-trifluoro-3-methylhepta-2,4-diene
CID 123499921
(E)-1,1,1-trifluoro-2,2-dimethylhex-4-en-3-one
CID 59951353
(E)-8,8,8-trifluorooct-2-en-4-one
CID 103453511
ethane;(3Z,5Z)-8,8,8-trifluoro-5-methylocta-1,3,5-triene
CID 142204097
ethane;(2Z,4E,7E)-5-ethenyl-7-[(Z)-prop-1-enyl]-6,6-bis(trifluoromethyl)deca-2,4,7-triene
CID 143322922
5-(3,3,3-trifluoropropylidene)nonane
CID 14400285

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-4-(1,1-difluoroethyl)-7,7,7-trifluorohepta-2,4-diene?
The IUPAC name of (2E,4E)-4-(1,1-difluoroethyl)-7,7,7-trifluorohepta-2,4-diene (CID 163785608) is (2E,4E)-4-(1,1-difluoroethyl)-7,7,7-trifluorohepta-2,4-diene.
What is the SMILES notation for (2E,4E)-4-(1,1-difluoroethyl)-7,7,7-trifluorohepta-2,4-diene?
The canonical SMILES for (2E,4E)-4-(1,1-difluoroethyl)-7,7,7-trifluorohepta-2,4-diene is C/C=C/C(=C\CC(F)(F)F)C(C)(F)F.
What is the InChIKey of (2E,4E)-4-(1,1-difluoroethyl)-7,7,7-trifluorohepta-2,4-diene?
The InChIKey is MSGNNAPUUHWKBA-BDWKERMESA-N. The full InChI is InChI=1S/C9H11F5/c1-3-4-7(8(2,10)11)5-6-9(12,13)14/h3-5H,6H2,1-2H3/b4-3+,7-5+.
What are the key properties of (2E,4E)-4-(1,1-difluoroethyl)-7,7,7-trifluorohepta-2,4-diene?
(2E,4E)-4-(1,1-difluoroethyl)-7,7,7-trifluorohepta-2,4-diene has a molecular weight of 214.18 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-4-(1,1-difluoroethyl)-7,7,7-trifluorohepta-2,4-diene is sourced from PubChem (CID 163785608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).