(2,2-difluorospiro[2.3]hexan-1-yl)methanesulfonyl chloride

C7H9ClF2O2S — CID 138039572

IUPAC(2,2-difluorospiro[2.3]hexan-1-yl)methanesulfonyl chloride
SMILESO=S(=O)(Cl)CC1C(F)(F)C12CCC2
InChIInChI=1S/C7H9ClF2O2S/c8-13(11,12)4-5-6(2-1-3-6)7(5,9)10/h5H,1-4H2
InChIKeyPLVIAYDBYOSWGU-UHFFFAOYSA-N
MW230.66 g/mol
LogP1.99
Rot. Bonds2

About (2,2-difluorospiro[2.3]hexan-1-yl)methanesulfonyl chloride

(2,2-difluorospiro[2.3]hexan-1-yl)methanesulfonyl chloride (PubChem CID 138039572) has the molecular formula C7H9ClF2O2S and a molecular weight of 230.66 g/mol. Its IUPAC name is (2,2-difluorospiro[2.3]hexan-1-yl)methanesulfonyl chloride.

Molecular Properties

Compound Name(2,2-difluorospiro[2.3]hexan-1-yl)methanesulfonyl chloride
PubChem CID138039572
Molecular FormulaC7H9ClF2O2S
Molecular Weight230.66 g/mol
Exact Mass230.00
IUPAC Name(2,2-difluorospiro[2.3]hexan-1-yl)methanesulfonyl chloride
SMILESO=S(=O)(Cl)CC1C(F)(F)C12CCC2
InChIInChI=1S/C7H9ClF2O2S/c8-13(11,12)4-5-6(2-1-3-6)7(5,9)10/h5H,1-4H2
InChIKeyPLVIAYDBYOSWGU-UHFFFAOYSA-N
XLogP1.99
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.66
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,2-Difluoro-3,3-dimethylcyclopropyl)methanesulfonyl chloride
CID 122163963
(Spiro(2.3)hexan-5-yl)methanesulfonyl chloride
CID 132398509
{1-Fluorospiro[2.3]hexan-5-yl}methanesulfonyl chloride
CID 137935937
(2,2-Difluorospiro[2.2]pentan-1-yl)methanesulfonyl chloride
CID 137945342
{1,1-Difluorospiro[2.3]hexan-5-yl}methanesulfonyl chloride
CID 137964770
(1-(2,2-Difluoroethyl)cyclobutyl)methanesulfonyl chloride
CID 138040584
6,6-Difluorospiro(3.3)heptane-2-sulfonyl chloride
CID 139026822
3-Cyclopropylcyclobutane-1-sulfonyl chloride
CID 145867612
(1-(1,1-Difluoroethyl)cyclobutyl)methanesulfonyl chloride
CID 146049020
rac-((1R,2R)-2-(trifluoromethyl)cyclobutyl)methanesulfonyl chloride
CID 155820610
3-Cyclobutyl-2,2-difluoropropane-1-sulfonyl chloride
CID 105492041
3-Cyclobutyl-3,3-difluoropropane-1-sulfonyl chloride
CID 105492042

Frequently Asked Questions

What is the IUPAC name of (2,2-difluorospiro[2.3]hexan-1-yl)methanesulfonyl chloride?
The IUPAC name of (2,2-difluorospiro[2.3]hexan-1-yl)methanesulfonyl chloride (CID 138039572) is (2,2-difluorospiro[2.3]hexan-1-yl)methanesulfonyl chloride.
What is the SMILES notation for (2,2-difluorospiro[2.3]hexan-1-yl)methanesulfonyl chloride?
The canonical SMILES for (2,2-difluorospiro[2.3]hexan-1-yl)methanesulfonyl chloride is O=S(=O)(Cl)CC1C(F)(F)C12CCC2.
What is the InChIKey of (2,2-difluorospiro[2.3]hexan-1-yl)methanesulfonyl chloride?
The InChIKey is PLVIAYDBYOSWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClF2O2S/c8-13(11,12)4-5-6(2-1-3-6)7(5,9)10/h5H,1-4H2.
What are the key properties of (2,2-difluorospiro[2.3]hexan-1-yl)methanesulfonyl chloride?
(2,2-difluorospiro[2.3]hexan-1-yl)methanesulfonyl chloride has a molecular weight of 230.66 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-difluorospiro[2.3]hexan-1-yl)methanesulfonyl chloride is sourced from PubChem (CID 138039572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).