6,6-difluoro-2-methylsulfanylhex-1-ene

C7H12F2S — CID 140879599

IUPAC6,6-difluoro-2-methylsulfanylhex-1-ene
SMILESC=C(CCCC(F)F)SC
InChIInChI=1S/C7H12F2S/c1-6(10-2)4-3-5-7(8)9/h7H,1,3-5H2,2H3
InChIKeyHCPLNNCCWHDWHL-UHFFFAOYSA-N
MW166.24 g/mol
LogP3.30
Rot. Bonds5

About 6,6-difluoro-2-methylsulfanylhex-1-ene

6,6-difluoro-2-methylsulfanylhex-1-ene (PubChem CID 140879599) has the molecular formula C7H12F2S and a molecular weight of 166.24 g/mol. Its IUPAC name is 6,6-difluoro-2-methylsulfanylhex-1-ene.

Molecular Properties

Compound Name6,6-difluoro-2-methylsulfanylhex-1-ene
PubChem CID140879599
Molecular FormulaC7H12F2S
Molecular Weight166.24 g/mol
Exact Mass166.06
IUPAC Name6,6-difluoro-2-methylsulfanylhex-1-ene
SMILESC=C(CCCC(F)F)SC
InChIInChI=1S/C7H12F2S/c1-6(10-2)4-3-5-7(8)9/h7H,1,3-5H2,2H3
InChIKeyHCPLNNCCWHDWHL-UHFFFAOYSA-N
XLogP3.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.24
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6,6-difluoro-2-methylsulfanylhex-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(Trifluoromethylsulfanyl)oct-1-ene
CID 162411758
2-[(2,2,2-Trifluoroethyl)thio]-1-hexene
CID 46909682
1,1-Difluoro-5-methylsulfanylpent-1-ene
CID 87187693
1,1-Difluoro-6-methylsulfanylhex-1-ene
CID 87187897
6-(Trifluoromethylsulfanyl)hex-1-ene
CID 125473360
5,5,5-Trifluoro-2-methylsulfanylpent-1-ene
CID 134364413
2-(3-Fluorobutyl)thiirene
CID 163428591
3,3-Difluoro-2-methylsulfanylbut-1-ene
CID 167253716
2-Methylsulfanylhex-1-ene
CID 11137197

Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-2-methylsulfanylhex-1-ene?
The IUPAC name of 6,6-difluoro-2-methylsulfanylhex-1-ene (CID 140879599) is 6,6-difluoro-2-methylsulfanylhex-1-ene.
What is the SMILES notation for 6,6-difluoro-2-methylsulfanylhex-1-ene?
The canonical SMILES for 6,6-difluoro-2-methylsulfanylhex-1-ene is C=C(CCCC(F)F)SC.
What is the InChIKey of 6,6-difluoro-2-methylsulfanylhex-1-ene?
The InChIKey is HCPLNNCCWHDWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2S/c1-6(10-2)4-3-5-7(8)9/h7H,1,3-5H2,2H3.
What are the key properties of 6,6-difluoro-2-methylsulfanylhex-1-ene?
6,6-difluoro-2-methylsulfanylhex-1-ene has a molecular weight of 166.24 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-2-methylsulfanylhex-1-ene is sourced from PubChem (CID 140879599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).