(3,3-dimethylcyclobutyl)methanesulfonyl fluoride

C7H13FO2S — CID 138989254

IUPAC(3,3-dimethylcyclobutyl)methanesulfonyl fluoride
SMILESCC1(C)CC(CS(=O)(=O)F)C1
InChIInChI=1S/C7H13FO2S/c1-7(2)3-6(4-7)5-11(8,9)10/h6H,3-5H2,1-2H3
InChIKeyQNMQIMYVXLUDMQ-UHFFFAOYSA-N
MW180.24 g/mol
LogP1.72
Rot. Bonds2

About (3,3-dimethylcyclobutyl)methanesulfonyl fluoride

(3,3-dimethylcyclobutyl)methanesulfonyl fluoride (PubChem CID 138989254) has the molecular formula C7H13FO2S and a molecular weight of 180.24 g/mol. Its IUPAC name is (3,3-dimethylcyclobutyl)methanesulfonyl fluoride.

Molecular Properties

Compound Name(3,3-dimethylcyclobutyl)methanesulfonyl fluoride
PubChem CID138989254
Molecular FormulaC7H13FO2S
Molecular Weight180.24 g/mol
Exact Mass180.06
IUPAC Name(3,3-dimethylcyclobutyl)methanesulfonyl fluoride
SMILESCC1(C)CC(CS(=O)(=O)F)C1
InChIInChI=1S/C7H13FO2S/c1-7(2)3-6(4-7)5-11(8,9)10/h6H,3-5H2,1-2H3
InChIKeyQNMQIMYVXLUDMQ-UHFFFAOYSA-N
XLogP1.72
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.24
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methylpentane-1-sulfonyl fluoride
CID 54593061
(3-Fluoro-3-methylcyclobutyl)methanesulfonyl chloride
CID 177183782
(1-Methylcyclobutyl)methanesulfonyl chloride
CID 84658823
2,2-Dimethylcyclobutane-1-sulfonyl chloride
CID 130555241
3,3-Dimethylcyclobutane-1-sulfonyl chloride
CID 130967108
(3,3-Dimethylcyclobutyl)methanesulfonyl chloride
CID 131109978
(1,3,3-Trimethylcyclobutyl)methanesulfonyl chloride
CID 137944475
(1,3-Dimethylcyclobutyl)methanesulfonyl chloride
CID 137951954
[1-Methyl-3-(trifluoromethyl)cyclobutyl]methanesulfonyl chloride
CID 155822605
(1-Fluoro-3-methylcyclobutyl)methanesulfonyl chloride
CID 167729412
4-Methylpentane-1-sulfonyl fluoride
CID 22935901
3-Methylcyclobutane-1-sulfonyl fluoride
CID 139363290

Frequently Asked Questions

What is the IUPAC name of (3,3-dimethylcyclobutyl)methanesulfonyl fluoride?
The IUPAC name of (3,3-dimethylcyclobutyl)methanesulfonyl fluoride (CID 138989254) is (3,3-dimethylcyclobutyl)methanesulfonyl fluoride.
What is the SMILES notation for (3,3-dimethylcyclobutyl)methanesulfonyl fluoride?
The canonical SMILES for (3,3-dimethylcyclobutyl)methanesulfonyl fluoride is CC1(C)CC(CS(=O)(=O)F)C1.
What is the InChIKey of (3,3-dimethylcyclobutyl)methanesulfonyl fluoride?
The InChIKey is QNMQIMYVXLUDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FO2S/c1-7(2)3-6(4-7)5-11(8,9)10/h6H,3-5H2,1-2H3.
What are the key properties of (3,3-dimethylcyclobutyl)methanesulfonyl fluoride?
(3,3-dimethylcyclobutyl)methanesulfonyl fluoride has a molecular weight of 180.24 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethylcyclobutyl)methanesulfonyl fluoride is sourced from PubChem (CID 138989254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).