(3Z,5E)-5-[chloro(fluoro)methyl]hepta-1,3,5-triene

C8H10ClF — CID 145158444

IUPAC(3Z,5E)-5-[chloro(fluoro)methyl]hepta-1,3,5-triene
SMILESC=C/C=C\C(=C/C)C(F)Cl
InChIInChI=1S/C8H10ClF/c1-3-5-6-7(4-2)8(9)10/h3-6,8H,1H2,2H3/b6-5-,7-4+
InChIKeyMASZCZLQJPYKCW-IUQJDUBZSA-N
MW160.62 g/mol
LogP3.21
Rot. Bonds3

About (3Z,5E)-5-[chloro(fluoro)methyl]hepta-1,3,5-triene

(3Z,5E)-5-[chloro(fluoro)methyl]hepta-1,3,5-triene (PubChem CID 145158444) has the molecular formula C8H10ClF and a molecular weight of 160.62 g/mol. Its IUPAC name is (3Z,5E)-5-[chloro(fluoro)methyl]hepta-1,3,5-triene.

Molecular Properties

Compound Name(3Z,5E)-5-[chloro(fluoro)methyl]hepta-1,3,5-triene
PubChem CID145158444
Molecular FormulaC8H10ClF
Molecular Weight160.62 g/mol
Exact Mass160.05
IUPAC Name(3Z,5E)-5-[chloro(fluoro)methyl]hepta-1,3,5-triene
SMILESC=C/C=C\C(=C/C)C(F)Cl
InChIInChI=1S/C8H10ClF/c1-3-5-6-7(4-2)8(9)10/h3-6,8H,1H2,2H3/b6-5-,7-4+
InChIKeyMASZCZLQJPYKCW-IUQJDUBZSA-N
XLogP3.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.62
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

ethane;methane;(3Z,5Z)-5-propan-2-ylhepta-1,3,5-triene
CID 144723819
(3E,4Z)-3-ethylidene-2-hydroxyhepta-4,6-dienoic acid
CID 142066465
(3E,4Z)-2-(aminomethyl)-3-ethylidenehepta-4,6-dienoic acid
CID 143110029
(3Z,5Z,6R)-5-ethylidene-6-methyldeca-1,3-diene
CID 144579667
(3Z,5Z)-5-propan-2-ylocta-1,3,5-triene
CID 143760343
(3E,4Z)-2-(2,2-dimethylpropyl)-3-ethylidenehepta-4,6-dien-1-amine
CID 126671380
(2E,3Z)-2-ethylidene-1-phenylhexa-3,5-dien-1-ol
CID 134199726
3-ethylidenehepta-4,6-dien-2-ylbenzene
CID 123397976
(3Z,5E,7E)-5-ethylidene-6-methyl-7-[(Z)-prop-1-enyl]deca-1,3,7-triene;propane
CID 143745715
(3E,5Z)-4-(1-iodoethyl)octa-1,3,5,7-tetraene
CID 139332360
(3Z,5Z)-5-methylhepta-1,3,5-triene;propane
CID 142516353
ethane;ethyl (3S,4E,5Z)-4-ethylidene-3-hydroxyocta-5,7-dienoate
CID 145420961

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-5-[chloro(fluoro)methyl]hepta-1,3,5-triene?
The IUPAC name of (3Z,5E)-5-[chloro(fluoro)methyl]hepta-1,3,5-triene (CID 145158444) is (3Z,5E)-5-[chloro(fluoro)methyl]hepta-1,3,5-triene.
What is the SMILES notation for (3Z,5E)-5-[chloro(fluoro)methyl]hepta-1,3,5-triene?
The canonical SMILES for (3Z,5E)-5-[chloro(fluoro)methyl]hepta-1,3,5-triene is C=C/C=C\C(=C/C)C(F)Cl.
What is the InChIKey of (3Z,5E)-5-[chloro(fluoro)methyl]hepta-1,3,5-triene?
The InChIKey is MASZCZLQJPYKCW-IUQJDUBZSA-N. The full InChI is InChI=1S/C8H10ClF/c1-3-5-6-7(4-2)8(9)10/h3-6,8H,1H2,2H3/b6-5-,7-4+.
What are the key properties of (3Z,5E)-5-[chloro(fluoro)methyl]hepta-1,3,5-triene?
(3Z,5E)-5-[chloro(fluoro)methyl]hepta-1,3,5-triene has a molecular weight of 160.62 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-5-[chloro(fluoro)methyl]hepta-1,3,5-triene is sourced from PubChem (CID 145158444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).