5-methylidene-2-(trifluoromethyl)hepta-1,3-diene

C9H11F3 — CID 91256552

IUPAC5-methylidene-2-(trifluoromethyl)hepta-1,3-diene
SMILESC=C(C=CC(=C)C(F)(F)F)CC
InChIInChI=1S/C9H11F3/c1-4-7(2)5-6-8(3)9(10,11)12/h5-6H,2-4H2,1H3
InChIKeyNNTNSNUPMAHATP-UHFFFAOYSA-N
MW176.18 g/mol
LogP3.63
Rot. Bonds3

About 5-methylidene-2-(trifluoromethyl)hepta-1,3-diene

5-methylidene-2-(trifluoromethyl)hepta-1,3-diene (PubChem CID 91256552) has the molecular formula C9H11F3 and a molecular weight of 176.18 g/mol. Its IUPAC name is 5-methylidene-2-(trifluoromethyl)hepta-1,3-diene.

Molecular Properties

Compound Name5-methylidene-2-(trifluoromethyl)hepta-1,3-diene
PubChem CID91256552
Molecular FormulaC9H11F3
Molecular Weight176.18 g/mol
Exact Mass176.08
IUPAC Name5-methylidene-2-(trifluoromethyl)hepta-1,3-diene
SMILESC=C(C=CC(=C)C(F)(F)F)CC
InChIInChI=1S/C9H11F3/c1-4-7(2)5-6-8(3)9(10,11)12/h5-6H,2-4H2,1H3
InChIKeyNNTNSNUPMAHATP-UHFFFAOYSA-N
XLogP3.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 53.63
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

(Z)-1,1,1-trifluoro-N-methyl-5-methylidenehept-3-en-2-imine
CID 169163898
(3E,7Z)-5,6,9-trimethylidene-3-(trifluoromethyl)undeca-1,3,7-triene
CID 145480576
(5Z)-2-fluoro-3,4,7-trimethylidenenona-1,5-diene;hydrofluoride
CID 143773200
2-methyl-N-[(3Z)-2-methylidene-5-(trifluoromethyl)hexa-3,5-dienyl]propanamide
CID 153344451
2-bromo-5-methylidenehepta-1,3-diene
CID 123950056
(Z)-5-methylidenehept-3-en-2-one
CID 123321874
prop-1-ene;(4Z,8Z)-3,6,7,10-tetramethylidenedodeca-4,8-diene
CID 144612607
(3Z)-N-tert-butyl-5-methylidenehepta-1,3-dien-2-amine
CID 144802636
(4Z,8Z,12Z)-8,9-difluoro-3,6,7,10,11,14-hexamethylidenehexadeca-4,8,12-triene;ethane
CID 144604196
(E)-3-methylidenepent-1-en-1-amine
CID 154554960
(3E,5E)-2-(trifluoromethyl)deca-1,3,5-triene
CID 10888998
(3Z,7Z)-2-methyl-5,6,9-trimethylideneundeca-1,3,7-triene;propane
CID 144723415

Frequently Asked Questions

What is the IUPAC name of 5-methylidene-2-(trifluoromethyl)hepta-1,3-diene?
The IUPAC name of 5-methylidene-2-(trifluoromethyl)hepta-1,3-diene (CID 91256552) is 5-methylidene-2-(trifluoromethyl)hepta-1,3-diene.
What is the SMILES notation for 5-methylidene-2-(trifluoromethyl)hepta-1,3-diene?
The canonical SMILES for 5-methylidene-2-(trifluoromethyl)hepta-1,3-diene is C=C(C=CC(=C)C(F)(F)F)CC.
What is the InChIKey of 5-methylidene-2-(trifluoromethyl)hepta-1,3-diene?
The InChIKey is NNTNSNUPMAHATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3/c1-4-7(2)5-6-8(3)9(10,11)12/h5-6H,2-4H2,1H3.
What are the key properties of 5-methylidene-2-(trifluoromethyl)hepta-1,3-diene?
5-methylidene-2-(trifluoromethyl)hepta-1,3-diene has a molecular weight of 176.18 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-2-(trifluoromethyl)hepta-1,3-diene is sourced from PubChem (CID 91256552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).