(5E,7Z)-5-fluoro-2-methylnona-2,3,5,7-tetraene

C10H13F — CID 167457315

IUPAC(5E,7Z)-5-fluoro-2-methylnona-2,3,5,7-tetraene
SMILESC/C=C\C=C(\F)C=C=C(C)C
InChIInChI=1S/C10H13F/c1-4-5-6-10(11)8-7-9(2)3/h4-6,8H,1-3H3/b5-4-,10-6+
InChIKeyFRJWAGLDPJTTGP-VWJYOPCBSA-N
MW152.21 g/mol
LogP3.54
Rot. Bonds2

About (5E,7Z)-5-fluoro-2-methylnona-2,3,5,7-tetraene

(5E,7Z)-5-fluoro-2-methylnona-2,3,5,7-tetraene (PubChem CID 167457315) has the molecular formula C10H13F and a molecular weight of 152.21 g/mol. Its IUPAC name is (5E,7Z)-5-fluoro-2-methylnona-2,3,5,7-tetraene.

Molecular Properties

Compound Name(5E,7Z)-5-fluoro-2-methylnona-2,3,5,7-tetraene
PubChem CID167457315
Molecular FormulaC10H13F
Molecular Weight152.21 g/mol
Exact Mass152.10
IUPAC Name(5E,7Z)-5-fluoro-2-methylnona-2,3,5,7-tetraene
SMILESC/C=C\C=C(\F)C=C=C(C)C
InChIInChI=1S/C10H13F/c1-4-5-6-10(11)8-7-9(2)3/h4-6,8H,1-3H3/b5-4-,10-6+
InChIKeyFRJWAGLDPJTTGP-VWJYOPCBSA-N
XLogP3.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.21
LogP ≤ 53.54
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;(2Z,4E)-hexa-2,4-diene-2-thiol
CID 143240532
(4E,6Z)-4-fluoro-2-methyl-3-methylideneocta-1,4,6-triene
CID 144513621
(2Z,4Z)-7,7,7-trifluoro-5-methylhepta-2,4-diene
CID 142114601
(2E,4E,6Z)-3,4-dimethylocta-2,4,6-triene
CID 91748402
[(1E,3Z)-1-fluoropenta-1,3-dienyl]-methyldiazene
CID 166987577
(3Z,5Z)-hepta-3,5-dien-1-yn-3-amine
CID 145347359
(2Z,4Z)-6-fluoro-5-methylhepta-2,4-diene
CID 143911112
(1Z,3Z,5E)-1-fluoro-3-methylhepta-1,3,5-triene
CID 89402474
(5E,7Z)-5-methylnona-5,7-dien-2-ol
CID 142261527
4-ethyl-3-fluoroocta-2,4,6-triene
CID 123568888
4-ethyl-5-methylnona-2,3,5,7-tetraene
CID 173264693
(2Z,4E)-N-methylhexa-2,4-dien-2-amine
CID 142249043

Frequently Asked Questions

What is the IUPAC name of (5E,7Z)-5-fluoro-2-methylnona-2,3,5,7-tetraene?
The IUPAC name of (5E,7Z)-5-fluoro-2-methylnona-2,3,5,7-tetraene (CID 167457315) is (5E,7Z)-5-fluoro-2-methylnona-2,3,5,7-tetraene.
What is the SMILES notation for (5E,7Z)-5-fluoro-2-methylnona-2,3,5,7-tetraene?
The canonical SMILES for (5E,7Z)-5-fluoro-2-methylnona-2,3,5,7-tetraene is C/C=C\C=C(\F)C=C=C(C)C.
What is the InChIKey of (5E,7Z)-5-fluoro-2-methylnona-2,3,5,7-tetraene?
The InChIKey is FRJWAGLDPJTTGP-VWJYOPCBSA-N. The full InChI is InChI=1S/C10H13F/c1-4-5-6-10(11)8-7-9(2)3/h4-6,8H,1-3H3/b5-4-,10-6+.
What are the key properties of (5E,7Z)-5-fluoro-2-methylnona-2,3,5,7-tetraene?
(5E,7Z)-5-fluoro-2-methylnona-2,3,5,7-tetraene has a molecular weight of 152.21 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,7Z)-5-fluoro-2-methylnona-2,3,5,7-tetraene is sourced from PubChem (CID 167457315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).