1-fluoro-4-methylsulfanylcyclohexa-1,3-diene

C7H9FS — CID 23220243

IUPAC1-fluoro-4-methylsulfanylcyclohexa-1,3-diene
SMILESCSC1=CC=C(F)CC1
InChIInChI=1S/C7H9FS/c1-9-7-4-2-6(8)3-5-7/h2,4H,3,5H2,1H3
InChIKeyLXUGUKGPKASNDG-UHFFFAOYSA-N
MW144.21 g/mol
LogP2.88
Rot. Bonds1

About 1-fluoro-4-methylsulfanylcyclohexa-1,3-diene

1-fluoro-4-methylsulfanylcyclohexa-1,3-diene (PubChem CID 23220243) has the molecular formula C7H9FS and a molecular weight of 144.21 g/mol. Its IUPAC name is 1-fluoro-4-methylsulfanylcyclohexa-1,3-diene.

Molecular Properties

Compound Name1-fluoro-4-methylsulfanylcyclohexa-1,3-diene
PubChem CID23220243
Molecular FormulaC7H9FS
Molecular Weight144.21 g/mol
Exact Mass144.04
IUPAC Name1-fluoro-4-methylsulfanylcyclohexa-1,3-diene
SMILESCSC1=CC=C(F)CC1
InChIInChI=1S/C7H9FS/c1-9-7-4-2-6(8)3-5-7/h2,4H,3,5H2,1H3
InChIKeyLXUGUKGPKASNDG-UHFFFAOYSA-N
XLogP2.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(Fluoromethylsulfanyl)cyclohexa-1,3-diene
CID 17802282
(E)-1,2-difluoro-4-methylsulfanylhept-3-ene
CID 88885976
3,5-Difluoro-1-methylsulfanylcyclohexa-1,3-diene
CID 123259260
1-(Fluoromethylsulfanyl)-6-methylcyclohexa-1,3-diene
CID 123280775
2,6-Difluoro-1-methylsulfanylcyclohexa-1,3-diene
CID 123824784
6-Fluoro-5-methyl-5-methylsulfanylcyclohexa-1,3-diene
CID 123972244
2-Fluoro-3-methylsulfanylcyclohexa-1,3-diene
CID 129214512
(2Z,4Z)-2-fluoro-3-methylsulfanylhepta-2,4-diene
CID 138465199
2-Fluoro-1-methylsulfanylcyclohexa-1,3-diene
CID 138465314
2-Ethyl-3-fluoro-5-methyl-5-methylsulfanylcyclohexa-1,3-diene
CID 142489054
1-Ethylsulfanyl-4-fluorocyclohexa-1,3-diene
CID 144390204
1-Fluoro-4-(methylsulfanylmethyl)cyclohexa-1,3-diene
CID 153601051

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-methylsulfanylcyclohexa-1,3-diene?
The IUPAC name of 1-fluoro-4-methylsulfanylcyclohexa-1,3-diene (CID 23220243) is 1-fluoro-4-methylsulfanylcyclohexa-1,3-diene.
What is the SMILES notation for 1-fluoro-4-methylsulfanylcyclohexa-1,3-diene?
The canonical SMILES for 1-fluoro-4-methylsulfanylcyclohexa-1,3-diene is CSC1=CC=C(F)CC1.
What is the InChIKey of 1-fluoro-4-methylsulfanylcyclohexa-1,3-diene?
The InChIKey is LXUGUKGPKASNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FS/c1-9-7-4-2-6(8)3-5-7/h2,4H,3,5H2,1H3.
What are the key properties of 1-fluoro-4-methylsulfanylcyclohexa-1,3-diene?
1-fluoro-4-methylsulfanylcyclohexa-1,3-diene has a molecular weight of 144.21 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-methylsulfanylcyclohexa-1,3-diene is sourced from PubChem (CID 23220243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).