(3Z)-3-bromo-4-(1-fluoroethyl)-6-methylhepta-1,3,5-triene

C10H14BrF — CID 155135018

IUPAC(3Z)-3-bromo-4-(1-fluoroethyl)-6-methylhepta-1,3,5-triene
SMILESC=C/C(Br)=C(\C=C(C)C)C(C)F
InChIInChI=1S/C10H14BrF/c1-5-10(11)9(8(4)12)6-7(2)3/h5-6,8H,1H2,2-4H3/b10-9-
InChIKeyYMICTGZMRBRKPA-KTKRTIGZSA-N
MW233.12 g/mol
LogP4.15
Rot. Bonds3

About (3Z)-3-bromo-4-(1-fluoroethyl)-6-methylhepta-1,3,5-triene

(3Z)-3-bromo-4-(1-fluoroethyl)-6-methylhepta-1,3,5-triene (PubChem CID 155135018) has the molecular formula C10H14BrF and a molecular weight of 233.12 g/mol. Its IUPAC name is (3Z)-3-bromo-4-(1-fluoroethyl)-6-methylhepta-1,3,5-triene.

Molecular Properties

Compound Name(3Z)-3-bromo-4-(1-fluoroethyl)-6-methylhepta-1,3,5-triene
PubChem CID155135018
Molecular FormulaC10H14BrF
Molecular Weight233.12 g/mol
Exact Mass232.03
IUPAC Name(3Z)-3-bromo-4-(1-fluoroethyl)-6-methylhepta-1,3,5-triene
SMILESC=C/C(Br)=C(\C=C(C)C)C(C)F
InChIInChI=1S/C10H14BrF/c1-5-10(11)9(8(4)12)6-7(2)3/h5-6,8H,1H2,2-4H3/b10-9-
InChIKeyYMICTGZMRBRKPA-KTKRTIGZSA-N
XLogP4.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.12
LogP ≤ 54.15
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

4-Brom-p-xylol
CID 21285705
5-Bromo-5-ethenyl-2-fluorocyclohexa-1,3-diene
CID 23056494
2-Bromo-1-fluoro-3-methylcyclohexa-1,3-diene
CID 23139023
(4Z)-3-fluoro-2-methyl-2,4-octadiene
CID 24972161
5-Bromo-1-fluoro-5-methylcyclohexa-1,3-diene
CID 69796830
(3E,5Z)-4-fluoro-3-methylnona-1,3,5-triene
CID 88067915
(3Z,5Z)-3-(2-fluoroethyl)-4-methylocta-1,3,5,7-tetraene
CID 88253419
(3Z,5E)-3-ethyl-6-fluoro-5-methylhepta-1,3,5-triene
CID 88267030
(3E,5E)-5-bromo-3-(difluoromethyl)-2-methylhepta-1,3,5-triene
CID 88570737
(3Z,5Z)-3-ethyl-7-fluorohepta-1,3,5-triene
CID 88590002
(3E,5E)-5-bromo-4-fluoro-2-methylhepta-1,3,5-triene
CID 88853657
(2E,4E)-2-bromo-4-(trifluoromethyl)octa-2,4,6-triene
CID 88865593

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-bromo-4-(1-fluoroethyl)-6-methylhepta-1,3,5-triene?
The IUPAC name of (3Z)-3-bromo-4-(1-fluoroethyl)-6-methylhepta-1,3,5-triene (CID 155135018) is (3Z)-3-bromo-4-(1-fluoroethyl)-6-methylhepta-1,3,5-triene.
What is the SMILES notation for (3Z)-3-bromo-4-(1-fluoroethyl)-6-methylhepta-1,3,5-triene?
The canonical SMILES for (3Z)-3-bromo-4-(1-fluoroethyl)-6-methylhepta-1,3,5-triene is C=C/C(Br)=C(\C=C(C)C)C(C)F.
What is the InChIKey of (3Z)-3-bromo-4-(1-fluoroethyl)-6-methylhepta-1,3,5-triene?
The InChIKey is YMICTGZMRBRKPA-KTKRTIGZSA-N. The full InChI is InChI=1S/C10H14BrF/c1-5-10(11)9(8(4)12)6-7(2)3/h5-6,8H,1H2,2-4H3/b10-9-.
What are the key properties of (3Z)-3-bromo-4-(1-fluoroethyl)-6-methylhepta-1,3,5-triene?
(3Z)-3-bromo-4-(1-fluoroethyl)-6-methylhepta-1,3,5-triene has a molecular weight of 233.12 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-bromo-4-(1-fluoroethyl)-6-methylhepta-1,3,5-triene is sourced from PubChem (CID 155135018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).