[5-(1,1-difluoroethyl)cyclohepten-1-yl]-difluoro-methyl-λ4-sulfane

C10H16F4S — CID 156532344

IUPAC[5-(1,1-difluoroethyl)cyclohepten-1-yl]-difluoro-methyl-λ4-sulfane
SMILESCC(F)(F)C1CCC=C(S(C)(F)F)CC1
InChIInChI=1S/C10H16F4S/c1-10(11,12)8-4-3-5-9(7-6-8)15(2,13)14/h5,8H,3-4,6-7H2,1-2H3
InChIKeyZADXIAGVDZZZSM-UHFFFAOYSA-N
MW244.30 g/mol
LogP4.92
Rot. Bonds2

About [5-(1,1-difluoroethyl)cyclohepten-1-yl]-difluoro-methyl-λ4-sulfane

[5-(1,1-difluoroethyl)cyclohepten-1-yl]-difluoro-methyl-λ4-sulfane (PubChem CID 156532344) has the molecular formula C10H16F4S and a molecular weight of 244.30 g/mol. Its IUPAC name is [5-(1,1-difluoroethyl)cyclohepten-1-yl]-difluoro-methyl-λ4-sulfane.

Molecular Properties

Compound Name[5-(1,1-difluoroethyl)cyclohepten-1-yl]-difluoro-methyl-λ4-sulfane
PubChem CID156532344
Molecular FormulaC10H16F4S
Molecular Weight244.30 g/mol
Exact Mass244.09
IUPAC Name[5-(1,1-difluoroethyl)cyclohepten-1-yl]-difluoro-methyl-λ4-sulfane
SMILESCC(F)(F)C1CCC=C(S(C)(F)F)CC1
InChIInChI=1S/C10H16F4S/c1-10(11,12)8-4-3-5-9(7-6-8)15(2,13)14/h5,8H,3-4,6-7H2,1-2H3
InChIKeyZADXIAGVDZZZSM-UHFFFAOYSA-N
XLogP4.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of [5-(1,1-difluoroethyl)cyclohepten-1-yl]-difluoro-methyl-λ4-sulfane?
The IUPAC name of [5-(1,1-difluoroethyl)cyclohepten-1-yl]-difluoro-methyl-λ4-sulfane (CID 156532344) is [5-(1,1-difluoroethyl)cyclohepten-1-yl]-difluoro-methyl-λ4-sulfane.
What is the SMILES notation for [5-(1,1-difluoroethyl)cyclohepten-1-yl]-difluoro-methyl-λ4-sulfane?
The canonical SMILES for [5-(1,1-difluoroethyl)cyclohepten-1-yl]-difluoro-methyl-λ4-sulfane is CC(F)(F)C1CCC=C(S(C)(F)F)CC1.
What is the InChIKey of [5-(1,1-difluoroethyl)cyclohepten-1-yl]-difluoro-methyl-λ4-sulfane?
The InChIKey is ZADXIAGVDZZZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F4S/c1-10(11,12)8-4-3-5-9(7-6-8)15(2,13)14/h5,8H,3-4,6-7H2,1-2H3.
What are the key properties of [5-(1,1-difluoroethyl)cyclohepten-1-yl]-difluoro-methyl-λ4-sulfane?
[5-(1,1-difluoroethyl)cyclohepten-1-yl]-difluoro-methyl-λ4-sulfane has a molecular weight of 244.30 g/mol, XLogP of 4.92, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1,1-difluoroethyl)cyclohepten-1-yl]-difluoro-methyl-λ4-sulfane is sourced from PubChem (CID 156532344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).