6-fluoro-3,6-dimethyl-5-(methylsulfanylmethyl)hept-1-ene

C11H21FS — CID 123687972

IUPAC6-fluoro-3,6-dimethyl-5-(methylsulfanylmethyl)hept-1-ene
SMILESC=CC(C)CC(CSC)C(C)(C)F
InChIInChI=1S/C11H21FS/c1-6-9(2)7-10(8-13-5)11(3,4)12/h6,9-10H,1,7-8H2,2-5H3
InChIKeyKDDNRBFCCIBMPH-UHFFFAOYSA-N
MW204.35 g/mol
LogP3.93
Rot. Bonds6

About 6-fluoro-3,6-dimethyl-5-(methylsulfanylmethyl)hept-1-ene

6-fluoro-3,6-dimethyl-5-(methylsulfanylmethyl)hept-1-ene (PubChem CID 123687972) has the molecular formula C11H21FS and a molecular weight of 204.35 g/mol. Its IUPAC name is 6-fluoro-3,6-dimethyl-5-(methylsulfanylmethyl)hept-1-ene.

Molecular Properties

Compound Name6-fluoro-3,6-dimethyl-5-(methylsulfanylmethyl)hept-1-ene
PubChem CID123687972
Molecular FormulaC11H21FS
Molecular Weight204.35 g/mol
Exact Mass204.13
IUPAC Name6-fluoro-3,6-dimethyl-5-(methylsulfanylmethyl)hept-1-ene
SMILESC=CC(C)CC(CSC)C(C)(C)F
InChIInChI=1S/C11H21FS/c1-6-9(2)7-10(8-13-5)11(3,4)12/h6,9-10H,1,7-8H2,2-5H3
InChIKeyKDDNRBFCCIBMPH-UHFFFAOYSA-N
XLogP3.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.35
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(1R,2S)-2-fluoro-2-methylcyclopropyl]-2-methyl-3H-thiophene
CID 129270932
(2R)-1-fluoro-2,3-dimethylhept-6-ene-1-thiol
CID 163638496
(E)-5,5,5-trifluoro-1-methylsulfanyl-3-propan-2-ylpent-1-ene
CID 172295577
(E)-7-ethenylsulfanyl-7-methyl-6-(trifluoromethyl)oct-3-ene
CID 174272912
(3S,4S,5S)-3,4-dimethyl-5-methylsulfanylnon-1-ene
CID 10910550
(4S,5S)-4-methyl-5-methylsulfanylhex-1-ene
CID 134980226
(4S,5S)-4-methyl-5-methylsulfanylnon-1-ene
CID 135060143
2,5-Dimethyl-6-methylsulfanyl-4-(trifluoromethyl)hex-1-ene
CID 162565819
3-Ethyl-2-propyl-2,3-dihydrothiophene
CID 53699979
4-Methyl-6-methylsulfanylhex-1-ene
CID 53759535
2,3-Dipropyl-2,3-dihydrothiophene
CID 57085985
2,3-Diethyl-2,3-dihydrothiophene
CID 57188312

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3,6-dimethyl-5-(methylsulfanylmethyl)hept-1-ene?
The IUPAC name of 6-fluoro-3,6-dimethyl-5-(methylsulfanylmethyl)hept-1-ene (CID 123687972) is 6-fluoro-3,6-dimethyl-5-(methylsulfanylmethyl)hept-1-ene.
What is the SMILES notation for 6-fluoro-3,6-dimethyl-5-(methylsulfanylmethyl)hept-1-ene?
The canonical SMILES for 6-fluoro-3,6-dimethyl-5-(methylsulfanylmethyl)hept-1-ene is C=CC(C)CC(CSC)C(C)(C)F.
What is the InChIKey of 6-fluoro-3,6-dimethyl-5-(methylsulfanylmethyl)hept-1-ene?
The InChIKey is KDDNRBFCCIBMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FS/c1-6-9(2)7-10(8-13-5)11(3,4)12/h6,9-10H,1,7-8H2,2-5H3.
What are the key properties of 6-fluoro-3,6-dimethyl-5-(methylsulfanylmethyl)hept-1-ene?
6-fluoro-3,6-dimethyl-5-(methylsulfanylmethyl)hept-1-ene has a molecular weight of 204.35 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3,6-dimethyl-5-(methylsulfanylmethyl)hept-1-ene is sourced from PubChem (CID 123687972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).