3-(trifluoromethyl)bicyclo[2.2.1]heptane-2-sulfonyl chloride

C8H10ClF3O2S — CID 122365585

IUPAC3-(trifluoromethyl)bicyclo[2.2.1]heptane-2-sulfonyl chloride
SMILESO=S(=O)(Cl)C1C2CCC(C2)C1C(F)(F)F
InChIInChI=1S/C8H10ClF3O2S/c9-15(13,14)7-5-2-1-4(3-5)6(7)8(10,11)12/h4-7H,1-3H2
InChIKeyRBPWAAOVMUFTIY-UHFFFAOYSA-N
MW262.68 g/mol
LogP2.53
Rot. Bonds1

About 3-(trifluoromethyl)bicyclo[2.2.1]heptane-2-sulfonyl chloride

3-(trifluoromethyl)bicyclo[2.2.1]heptane-2-sulfonyl chloride (PubChem CID 122365585) has the molecular formula C8H10ClF3O2S and a molecular weight of 262.68 g/mol. Its IUPAC name is 3-(trifluoromethyl)bicyclo[2.2.1]heptane-2-sulfonyl chloride.

Molecular Properties

Compound Name3-(trifluoromethyl)bicyclo[2.2.1]heptane-2-sulfonyl chloride
PubChem CID122365585
Molecular FormulaC8H10ClF3O2S
Molecular Weight262.68 g/mol
Exact Mass262.00
IUPAC Name3-(trifluoromethyl)bicyclo[2.2.1]heptane-2-sulfonyl chloride
SMILESO=S(=O)(Cl)C1C2CCC(C2)C1C(F)(F)F
InChIInChI=1S/C8H10ClF3O2S/c9-15(13,14)7-5-2-1-4(3-5)6(7)8(10,11)12/h4-7H,1-3H2
InChIKeyRBPWAAOVMUFTIY-UHFFFAOYSA-N
XLogP2.53
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.68
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

bicyclo[3.1.0]hexane-3-sulfonyl chloride
CID 131288995
(1S,2S,3R,4R)-2-(2-chloro-1,1,2,2-tetrafluoroethyl)-3-iodobicyclo[2.2.1]heptane
CID 101419423
(1R,2R,3R,4S)-2-bromo-3-[bromo(difluoro)methyl]bicyclo[2.2.1]heptane
CID 14387272
bicyclo[3.2.1]octane-2-sulfonyl chloride
CID 165456077
azane;trifluoromethanesulfonyl chloride
CID 87630754
5-tert-butylbicyclo[2.1.1]hexane
CID 140587712
(2R)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-sulfonyl chloride
CID 55279558
(1Z)-N-chlorosulfonyl-2,2,2-trifluoroethanimidoyl chloride
CID 55279207
2-(3-methyl-2-bicyclo[2.2.1]heptanyl)-2-(trifluoromethyl)butanoic acid
CID 67518551
(1R,4S)-5,6-bis(trifluoromethyl)bicyclo[2.2.1]hept-2-ene
CID 15837042
chlorosulfonylazanide;yttrium
CID 59654506
(1R,3R,6R,8R)-tricyclo[4.4.0.03,8]decane
CID 91618084

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)bicyclo[2.2.1]heptane-2-sulfonyl chloride?
The IUPAC name of 3-(trifluoromethyl)bicyclo[2.2.1]heptane-2-sulfonyl chloride (CID 122365585) is 3-(trifluoromethyl)bicyclo[2.2.1]heptane-2-sulfonyl chloride.
What is the SMILES notation for 3-(trifluoromethyl)bicyclo[2.2.1]heptane-2-sulfonyl chloride?
The canonical SMILES for 3-(trifluoromethyl)bicyclo[2.2.1]heptane-2-sulfonyl chloride is O=S(=O)(Cl)C1C2CCC(C2)C1C(F)(F)F.
What is the InChIKey of 3-(trifluoromethyl)bicyclo[2.2.1]heptane-2-sulfonyl chloride?
The InChIKey is RBPWAAOVMUFTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClF3O2S/c9-15(13,14)7-5-2-1-4(3-5)6(7)8(10,11)12/h4-7H,1-3H2.
What are the key properties of 3-(trifluoromethyl)bicyclo[2.2.1]heptane-2-sulfonyl chloride?
3-(trifluoromethyl)bicyclo[2.2.1]heptane-2-sulfonyl chloride has a molecular weight of 262.68 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)bicyclo[2.2.1]heptane-2-sulfonyl chloride is sourced from PubChem (CID 122365585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).