(3E,5Z)-2-fluoro-4-prop-1-en-2-ylhepta-1,3,5-triene

C10H13F — CID 144683889

IUPAC(3E,5Z)-2-fluoro-4-prop-1-en-2-ylhepta-1,3,5-triene
SMILESC=C(F)/C=C(\C=C/C)C(=C)C
InChIInChI=1S/C10H13F/c1-5-6-10(8(2)3)7-9(4)11/h5-7H,2,4H2,1,3H3/b6-5-,10-7+
InChIKeySUNXLRCZBLMBQV-ZZWPSLBBSA-N
MW152.21 g/mol
LogP3.55
Rot. Bonds3

About (3E,5Z)-2-fluoro-4-prop-1-en-2-ylhepta-1,3,5-triene

(3E,5Z)-2-fluoro-4-prop-1-en-2-ylhepta-1,3,5-triene (PubChem CID 144683889) has the molecular formula C10H13F and a molecular weight of 152.21 g/mol. Its IUPAC name is (3E,5Z)-2-fluoro-4-prop-1-en-2-ylhepta-1,3,5-triene.

Molecular Properties

Compound Name(3E,5Z)-2-fluoro-4-prop-1-en-2-ylhepta-1,3,5-triene
PubChem CID144683889
Molecular FormulaC10H13F
Molecular Weight152.21 g/mol
Exact Mass152.10
IUPAC Name(3E,5Z)-2-fluoro-4-prop-1-en-2-ylhepta-1,3,5-triene
SMILESC=C(F)/C=C(\C=C/C)C(=C)C
InChIInChI=1S/C10H13F/c1-5-6-10(8(2)3)7-9(4)11/h5-7H,2,4H2,1,3H3/b6-5-,10-7+
InChIKeySUNXLRCZBLMBQV-ZZWPSLBBSA-N
XLogP3.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.21
LogP ≤ 53.55
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

(3Z,4Z)-3-ethylidene-2-methylhexa-1,4-diene
CID 142964222
(3Z,5E)-4-prop-1-en-2-ylhepta-1,3,5-triene
CID 142147647
(3Z,5Z)-3,4-difluoro-2-methylhepta-1,3,5-triene
CID 143399324
6-ethylidene-2-fluoro-5-methylidenenona-1,3,7-triene
CID 123639498
(3E)-5-fluoro-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol
CID 167213981
3-prop-1-en-2-ylhexa-2,4-dien-1-imine
CID 123815278
(3E,5E)-3-fluoro-5-prop-1-en-2-ylhepta-1,3,5-triene
CID 166713721
(4Z)-1,1-difluoro-3-methylidenehexa-1,4-diene
CID 144675274
(2E)-4-fluoro-2-prop-1-en-2-ylpenta-2,4-dien-1-ol
CID 144678722
(2E,4E)-4-bromo-6-fluorohepta-2,4,6-trien-3-ol
CID 178133361
(3E,5Z)-2-bromo-4-fluorohepta-1,3,5-triene
CID 142091470
ethane;(3Z)-2-methylpenta-1,3-diene
CID 142023424

Frequently Asked Questions

What is the IUPAC name of (3E,5Z)-2-fluoro-4-prop-1-en-2-ylhepta-1,3,5-triene?
The IUPAC name of (3E,5Z)-2-fluoro-4-prop-1-en-2-ylhepta-1,3,5-triene (CID 144683889) is (3E,5Z)-2-fluoro-4-prop-1-en-2-ylhepta-1,3,5-triene.
What is the SMILES notation for (3E,5Z)-2-fluoro-4-prop-1-en-2-ylhepta-1,3,5-triene?
The canonical SMILES for (3E,5Z)-2-fluoro-4-prop-1-en-2-ylhepta-1,3,5-triene is C=C(F)/C=C(\C=C/C)C(=C)C.
What is the InChIKey of (3E,5Z)-2-fluoro-4-prop-1-en-2-ylhepta-1,3,5-triene?
The InChIKey is SUNXLRCZBLMBQV-ZZWPSLBBSA-N. The full InChI is InChI=1S/C10H13F/c1-5-6-10(8(2)3)7-9(4)11/h5-7H,2,4H2,1,3H3/b6-5-,10-7+.
What are the key properties of (3E,5Z)-2-fluoro-4-prop-1-en-2-ylhepta-1,3,5-triene?
(3E,5Z)-2-fluoro-4-prop-1-en-2-ylhepta-1,3,5-triene has a molecular weight of 152.21 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-2-fluoro-4-prop-1-en-2-ylhepta-1,3,5-triene is sourced from PubChem (CID 144683889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).