(E)-1,2-difluoro-4-methylsulfanylhept-3-ene

C8H14F2S — CID 88885976

IUPAC(E)-1,2-difluoro-4-methylsulfanylhept-3-ene
SMILESCCC/C(=C\C(F)CF)SC
InChIInChI=1S/C8H14F2S/c1-3-4-8(11-2)5-7(10)6-9/h5,7H,3-4,6H2,1-2H3/b8-5+
InChIKeyAONRKDMDMSNDKG-VMPITWQZSA-N
MW180.26 g/mol
LogP3.34
Rot. Bonds5

About (E)-1,2-difluoro-4-methylsulfanylhept-3-ene

(E)-1,2-difluoro-4-methylsulfanylhept-3-ene (PubChem CID 88885976) has the molecular formula C8H14F2S and a molecular weight of 180.26 g/mol. Its IUPAC name is (E)-1,2-difluoro-4-methylsulfanylhept-3-ene.

Molecular Properties

Compound Name(E)-1,2-difluoro-4-methylsulfanylhept-3-ene
PubChem CID88885976
Molecular FormulaC8H14F2S
Molecular Weight180.26 g/mol
Exact Mass180.08
IUPAC Name(E)-1,2-difluoro-4-methylsulfanylhept-3-ene
SMILESCCC/C(=C\C(F)CF)SC
InChIInChI=1S/C8H14F2S/c1-3-4-8(11-2)5-7(10)6-9/h5,7H,3-4,6H2,1-2H3/b8-5+
InChIKeyAONRKDMDMSNDKG-VMPITWQZSA-N
XLogP3.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.26
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-1,2-difluoro-4-methylsulfanylhept-3-ene?
The IUPAC name of (E)-1,2-difluoro-4-methylsulfanylhept-3-ene (CID 88885976) is (E)-1,2-difluoro-4-methylsulfanylhept-3-ene.
What is the SMILES notation for (E)-1,2-difluoro-4-methylsulfanylhept-3-ene?
The canonical SMILES for (E)-1,2-difluoro-4-methylsulfanylhept-3-ene is CCC/C(=C\C(F)CF)SC.
What is the InChIKey of (E)-1,2-difluoro-4-methylsulfanylhept-3-ene?
The InChIKey is AONRKDMDMSNDKG-VMPITWQZSA-N. The full InChI is InChI=1S/C8H14F2S/c1-3-4-8(11-2)5-7(10)6-9/h5,7H,3-4,6H2,1-2H3/b8-5+.
What are the key properties of (E)-1,2-difluoro-4-methylsulfanylhept-3-ene?
(E)-1,2-difluoro-4-methylsulfanylhept-3-ene has a molecular weight of 180.26 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,2-difluoro-4-methylsulfanylhept-3-ene is sourced from PubChem (CID 88885976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).