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

C10H13F — CID 166713721

IUPAC(3E,5E)-3-fluoro-5-prop-1-en-2-ylhepta-1,3,5-triene
SMILESC=C/C(F)=C\C(=C/C)C(=C)C
InChIInChI=1S/C10H13F/c1-5-9(8(3)4)7-10(11)6-2/h5-7H,2-3H2,1,4H3/b9-5+,10-7+
InChIKeyRJXZCYSVIQCWBF-FWMCCXIMSA-N
MW152.21 g/mol
LogP3.55
Rot. Bonds3

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

(3E,5E)-3-fluoro-5-prop-1-en-2-ylhepta-1,3,5-triene (PubChem CID 166713721) has the molecular formula C10H13F and a molecular weight of 152.21 g/mol. Its IUPAC name is (3E,5E)-3-fluoro-5-prop-1-en-2-ylhepta-1,3,5-triene.

Molecular Properties

Compound Name(3E,5E)-3-fluoro-5-prop-1-en-2-ylhepta-1,3,5-triene
PubChem CID166713721
Molecular FormulaC10H13F
Molecular Weight152.21 g/mol
Exact Mass152.10
IUPAC Name(3E,5E)-3-fluoro-5-prop-1-en-2-ylhepta-1,3,5-triene
SMILESC=C/C(F)=C\C(=C/C)C(=C)C
InChIInChI=1S/C10H13F/c1-5-9(8(3)4)7-10(11)6-2/h5-7H,2-3H2,1,4H3/b9-5+,10-7+
InChIKeyRJXZCYSVIQCWBF-FWMCCXIMSA-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

(3E)-4-fluoro-2-methoxyhexa-1,3,5-triene
CID 143875376
(E)-2-fluorobut-2-ene;2-methylbuta-1,3-diene
CID 142535063
(3E,5Z)-2-fluoro-4-prop-1-en-2-ylhepta-1,3,5-triene
CID 144683889
(3E,5E)-5-chloro-3-ethenyl-2-methylhepta-1,3,5-triene
CID 144627695
(1Z)-2-fluoro-N-methylbuta-1,3-dien-1-amine
CID 143572818
(3Z,4Z)-3-ethylidene-2-methylhexa-1,4-diene
CID 142964222
(1E,4E)-2-ethenyl-3-ethylidene-N,6-dimethyl-5-(trifluoromethyl)hepta-1,4,6-trien-1-amine
CID 143763167
(3E,6E)-3-fluoro-6,9-dimethyl-5-methylidenedeca-1,3,6-triene
CID 143772459
(2E)-4-fluoro-2-prop-1-en-2-ylpenta-2,4-dien-1-ol
CID 144678722
(4E,6E)-5,7-difluoro-3-methylideneocta-1,4,6-triene
CID 138723097
(3Z,6E)-6-ethenyl-2,3,4-trimethyl-5-methylideneocta-1,3,6-triene
CID 164855515
(3E)-3-fluoro-2-methylpenta-1,3-diene
CID 13165650

Frequently Asked Questions

What is the IUPAC name of (3E,5E)-3-fluoro-5-prop-1-en-2-ylhepta-1,3,5-triene?
The IUPAC name of (3E,5E)-3-fluoro-5-prop-1-en-2-ylhepta-1,3,5-triene (CID 166713721) is (3E,5E)-3-fluoro-5-prop-1-en-2-ylhepta-1,3,5-triene.
What is the SMILES notation for (3E,5E)-3-fluoro-5-prop-1-en-2-ylhepta-1,3,5-triene?
The canonical SMILES for (3E,5E)-3-fluoro-5-prop-1-en-2-ylhepta-1,3,5-triene is C=C/C(F)=C\C(=C/C)C(=C)C.
What is the InChIKey of (3E,5E)-3-fluoro-5-prop-1-en-2-ylhepta-1,3,5-triene?
The InChIKey is RJXZCYSVIQCWBF-FWMCCXIMSA-N. The full InChI is InChI=1S/C10H13F/c1-5-9(8(3)4)7-10(11)6-2/h5-7H,2-3H2,1,4H3/b9-5+,10-7+.
What are the key properties of (3E,5E)-3-fluoro-5-prop-1-en-2-ylhepta-1,3,5-triene?
(3E,5E)-3-fluoro-5-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,5E)-3-fluoro-5-prop-1-en-2-ylhepta-1,3,5-triene is sourced from PubChem (CID 166713721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).