(2Z,4Z)-2-fluoro-3-methylsulfanylhepta-2,4-diene

C8H13FS — CID 138465199

IUPAC(2Z,4Z)-2-fluoro-3-methylsulfanylhepta-2,4-diene
SMILESCC/C=C\C(SC)=C(/C)F
InChIInChI=1S/C8H13FS/c1-4-5-6-8(10-3)7(2)9/h5-6H,4H2,1-3H3/b6-5-,8-7-
InChIKeyQVVWEHMFZLFXMO-ISTTXYCBSA-N
MW160.26 g/mol
LogP3.52
Rot. Bonds3

About (2Z,4Z)-2-fluoro-3-methylsulfanylhepta-2,4-diene

(2Z,4Z)-2-fluoro-3-methylsulfanylhepta-2,4-diene (PubChem CID 138465199) has the molecular formula C8H13FS and a molecular weight of 160.26 g/mol. Its IUPAC name is (2Z,4Z)-2-fluoro-3-methylsulfanylhepta-2,4-diene.

Molecular Properties

Compound Name(2Z,4Z)-2-fluoro-3-methylsulfanylhepta-2,4-diene
PubChem CID138465199
Molecular FormulaC8H13FS
Molecular Weight160.26 g/mol
Exact Mass160.07
IUPAC Name(2Z,4Z)-2-fluoro-3-methylsulfanylhepta-2,4-diene
SMILESCC/C=C\C(SC)=C(/C)F
InChIInChI=1S/C8H13FS/c1-4-5-6-8(10-3)7(2)9/h5-6H,4H2,1-3H3/b6-5-,8-7-
InChIKeyQVVWEHMFZLFXMO-ISTTXYCBSA-N
XLogP3.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(Fluoromethylsulfanyl)cyclohexa-1,3-diene
CID 17802282
1-Fluoro-4-methylsulfanylcyclohexa-1,3-diene
CID 23220243
6-Fluoro-2,3-dihydrothionine
CID 91360454
5-Fluorohexa-1,3-dienyl(trimethyl)-lambda4-sulfane
CID 123645797
2,6-Difluoro-1-methylsulfanylcyclohexa-1,3-diene
CID 123824784
6-Fluoro-5-methyl-5-methylsulfanylcyclohexa-1,3-diene
CID 123972244
2-fluoro-5-[(1E,3Z)-4-methylsulfanylpenta-1,3-dienyl]cyclohepta-1,3,5-triene
CID 132198726
(3E,4Z)-3-ethylidene-7,7,7-trifluoro-2-methylsulfanylhepta-1,4-diene
CID 134569800
2-Fluoro-1-methylsulfanylcyclohexa-1,3-diene
CID 138465314
(3Z)-2-methyl-5-(trifluoromethylsulfanyl)hexa-1,3,5-triene
CID 141981513
2-Fluoro-5-methylsulfanylcyclohepta-1,3,5-triene
CID 142105265
(3E,5Z)-2-fluoro-3-methylsulfanylhepta-1,3,5-triene
CID 143284367

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-2-fluoro-3-methylsulfanylhepta-2,4-diene?
The IUPAC name of (2Z,4Z)-2-fluoro-3-methylsulfanylhepta-2,4-diene (CID 138465199) is (2Z,4Z)-2-fluoro-3-methylsulfanylhepta-2,4-diene.
What is the SMILES notation for (2Z,4Z)-2-fluoro-3-methylsulfanylhepta-2,4-diene?
The canonical SMILES for (2Z,4Z)-2-fluoro-3-methylsulfanylhepta-2,4-diene is CC/C=C\C(SC)=C(/C)F.
What is the InChIKey of (2Z,4Z)-2-fluoro-3-methylsulfanylhepta-2,4-diene?
The InChIKey is QVVWEHMFZLFXMO-ISTTXYCBSA-N. The full InChI is InChI=1S/C8H13FS/c1-4-5-6-8(10-3)7(2)9/h5-6H,4H2,1-3H3/b6-5-,8-7-.
What are the key properties of (2Z,4Z)-2-fluoro-3-methylsulfanylhepta-2,4-diene?
(2Z,4Z)-2-fluoro-3-methylsulfanylhepta-2,4-diene has a molecular weight of 160.26 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-2-fluoro-3-methylsulfanylhepta-2,4-diene is sourced from PubChem (CID 138465199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).