1,1-difluoro-2-methyl-5-methylideneoct-1-ene;1,1-difluoro-2-methyl-5-(methylsulfanylmethyl)hexa-1,5-diene

C19H30F4S — CID 159696527

IUPAC1,1-difluoro-2-methyl-5-methylideneoct-1-ene;1,1-difluoro-2-methyl-5-(methylsulfanylmethyl)hexa-1,5-diene
SMILESC=C(CCC(C)=C(F)F)CSC.C=C(CCC)CCC(C)=C(F)F
InChIInChI=1S/C10H16F2.C9H14F2S/c1-4-5-8(2)6-7-9(3)10(11)12;1-7(6-12-3)4-5-8(2)9(10)11/h2,4-7H2,1,3H3;1,4-6H2,2-3H3
InChIKeyMXBRMRVDWSYDFC-UHFFFAOYSA-N
MW366.51 g/mol
LogP8.15
Rot. Bonds10

About 1,1-difluoro-2-methyl-5-methylideneoct-1-ene;1,1-difluoro-2-methyl-5-(methylsulfanylmethyl)hexa-1,5-diene

1,1-difluoro-2-methyl-5-methylideneoct-1-ene;1,1-difluoro-2-methyl-5-(methylsulfanylmethyl)hexa-1,5-diene (PubChem CID 159696527) has the molecular formula C19H30F4S and a molecular weight of 366.51 g/mol. Its IUPAC name is 1,1-difluoro-2-methyl-5-methylideneoct-1-ene;1,1-difluoro-2-methyl-5-(methylsulfanylmethyl)hexa-1,5-diene.

Molecular Properties

Compound Name1,1-difluoro-2-methyl-5-methylideneoct-1-ene;1,1-difluoro-2-methyl-5-(methylsulfanylmethyl)hexa-1,5-diene
PubChem CID159696527
Molecular FormulaC19H30F4S
Molecular Weight366.51 g/mol
Exact Mass366.20
IUPAC Name1,1-difluoro-2-methyl-5-methylideneoct-1-ene;1,1-difluoro-2-methyl-5-(methylsulfanylmethyl)hexa-1,5-diene
SMILESC=C(CCC(C)=C(F)F)CSC.C=C(CCC)CCC(C)=C(F)F
InChIInChI=1S/C10H16F2.C9H14F2S/c1-4-5-8(2)6-7-9(3)10(11)12;1-7(6-12-3)4-5-8(2)9(10)11/h2,4-7H2,1,3H3;1,4-6H2,2-3H3
InChIKeyMXBRMRVDWSYDFC-UHFFFAOYSA-N
XLogP8.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.51
LogP ≤ 58.15
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

(E)-15,15,16,16,16-pentafluoro-1,3-bis(methylsulfanyl)hexadec-1-ene
CID 23365973
15,15,16,16,16-Pentafluoro-1,3-bis(methylsulfanyl)hexadec-1-ene
CID 54043595
1,1-Difluoro-2-methyl-5-(methylsulfanylmethyl)hexa-1,5-diene
CID 58962885
10-Deca-1,9-dien-5-ylsulfanyl-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane
CID 122593493
10-Deca-8,9-dien-4-ylsulfanyl-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane
CID 155310328
1,1,1-Trifluoro-4-methylidene-2-(methylsulfanylmethyl)-2-(trifluoromethyl)nonane
CID 170354868
2-Methyl-3-(trifluoromethylsulfanyl)undec-1-ene
CID 102296494
(4S)-4-(trifluoromethylsulfanyl)tetradec-1-ene
CID 132524330

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2-methyl-5-methylideneoct-1-ene;1,1-difluoro-2-methyl-5-(methylsulfanylmethyl)hexa-1,5-diene?
The IUPAC name of 1,1-difluoro-2-methyl-5-methylideneoct-1-ene;1,1-difluoro-2-methyl-5-(methylsulfanylmethyl)hexa-1,5-diene (CID 159696527) is 1,1-difluoro-2-methyl-5-methylideneoct-1-ene;1,1-difluoro-2-methyl-5-(methylsulfanylmethyl)hexa-1,5-diene.
What is the SMILES notation for 1,1-difluoro-2-methyl-5-methylideneoct-1-ene;1,1-difluoro-2-methyl-5-(methylsulfanylmethyl)hexa-1,5-diene?
The canonical SMILES for 1,1-difluoro-2-methyl-5-methylideneoct-1-ene;1,1-difluoro-2-methyl-5-(methylsulfanylmethyl)hexa-1,5-diene is C=C(CCC(C)=C(F)F)CSC.C=C(CCC)CCC(C)=C(F)F.
What is the InChIKey of 1,1-difluoro-2-methyl-5-methylideneoct-1-ene;1,1-difluoro-2-methyl-5-(methylsulfanylmethyl)hexa-1,5-diene?
The InChIKey is MXBRMRVDWSYDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2.C9H14F2S/c1-4-5-8(2)6-7-9(3)10(11)12;1-7(6-12-3)4-5-8(2)9(10)11/h2,4-7H2,1,3H3;1,4-6H2,2-3H3.
What are the key properties of 1,1-difluoro-2-methyl-5-methylideneoct-1-ene;1,1-difluoro-2-methyl-5-(methylsulfanylmethyl)hexa-1,5-diene?
1,1-difluoro-2-methyl-5-methylideneoct-1-ene;1,1-difluoro-2-methyl-5-(methylsulfanylmethyl)hexa-1,5-diene has a molecular weight of 366.51 g/mol, XLogP of 8.15, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2-methyl-5-methylideneoct-1-ene;1,1-difluoro-2-methyl-5-(methylsulfanylmethyl)hexa-1,5-diene is sourced from PubChem (CID 159696527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).