bicyclo[2.2.1]hept-2-ene;fluoroform;sulfane

C8H13F3S — CID 174548915

IUPACbicyclo[2.2.1]hept-2-ene;fluoroform;sulfane
SMILESC1=CC2CCC1C2.FC(F)F.S
InChIInChI=1S/C7H10.CHF3.H2S/c1-2-7-4-3-6(1)5-7;2-1(3)4;/h1-2,6-7H,3-5H2;1H;1H2
InChIKeyUJUCOASHMPIAPN-UHFFFAOYSA-N
MW198.25 g/mol
LogP3.26
Rot. Bonds

About bicyclo[2.2.1]hept-2-ene;fluoroform;sulfane

bicyclo[2.2.1]hept-2-ene;fluoroform;sulfane (PubChem CID 174548915) has the molecular formula C8H13F3S and a molecular weight of 198.25 g/mol. Its IUPAC name is bicyclo[2.2.1]hept-2-ene;fluoroform;sulfane.

Molecular Properties

Compound Namebicyclo[2.2.1]hept-2-ene;fluoroform;sulfane
PubChem CID174548915
Molecular FormulaC8H13F3S
Molecular Weight198.25 g/mol
Exact Mass198.07
IUPAC Namebicyclo[2.2.1]hept-2-ene;fluoroform;sulfane
SMILESC1=CC2CCC1C2.FC(F)F.S
InChIInChI=1S/C7H10.CHF3.H2S/c1-2-7-4-3-6(1)5-7;2-1(3)4;/h1-2,6-7H,3-5H2;1H;1H2
InChIKeyUJUCOASHMPIAPN-UHFFFAOYSA-N
XLogP3.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(1R,4S)-bicyclo[2.2.1]hept-2-ene
CID 638051
(5S)-N-(2,2-difluoroethyl)bicyclo[3.2.2]non-6-en-3-amine
CID 142584478
bicyclo[2.2.1]hept-2-ene;trichlororhodium
CID 175974959
bicyclo[2.2.1]hept-2-ene;2-methylbutane
CID 167695695
bicyclo[2.2.1]hept-2-ene;tris(cyclopenta-1,3-diene)
CID 173404323
aminophosphonous acid;bicyclo[2.2.1]hept-2-ene
CID 67327267
bicyclo[2.2.1]hept-2-ene;carbanide;2-methylpropane;tungsten(2+)
CID 158415038
bicyclo[2.2.2]oct-2-ene
CID 13608
bicyclo[2.2.1]hept-2-ene;1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol
CID 87422539
bicyclo[2.2.1]hept-2-ene;naphthalene
CID 175477679
2-aminopropanoic acid;bicyclo[2.2.1]hept-2-ene
CID 137424386
(1S,3S,4R,6R)-bicyclo[4.2.1]non-7-ene-3,4-diol
CID 25136543

Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.1]hept-2-ene;fluoroform;sulfane?
The IUPAC name of bicyclo[2.2.1]hept-2-ene;fluoroform;sulfane (CID 174548915) is bicyclo[2.2.1]hept-2-ene;fluoroform;sulfane.
What is the SMILES notation for bicyclo[2.2.1]hept-2-ene;fluoroform;sulfane?
The canonical SMILES for bicyclo[2.2.1]hept-2-ene;fluoroform;sulfane is C1=CC2CCC1C2.FC(F)F.S.
What is the InChIKey of bicyclo[2.2.1]hept-2-ene;fluoroform;sulfane?
The InChIKey is UJUCOASHMPIAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10.CHF3.H2S/c1-2-7-4-3-6(1)5-7;2-1(3)4;/h1-2,6-7H,3-5H2;1H;1H2.
What are the key properties of bicyclo[2.2.1]hept-2-ene;fluoroform;sulfane?
bicyclo[2.2.1]hept-2-ene;fluoroform;sulfane has a molecular weight of 198.25 g/mol, XLogP of 3.26, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.1]hept-2-ene;fluoroform;sulfane is sourced from PubChem (CID 174548915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).