2-fluoro-1-methylidene-4-propan-2-ylsulfonylcyclohexane

C10H17FO2S — CID 123780725

IUPAC2-fluoro-1-methylidene-4-propan-2-ylsulfonylcyclohexane
SMILESC=C1CCC(S(=O)(=O)C(C)C)CC1F
InChIInChI=1S/C10H17FO2S/c1-7(2)14(12,13)9-5-4-8(3)10(11)6-9/h7,9-10H,3-6H2,1-2H3
InChIKeyAXTIODOKRLDYNY-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.26
Rot. Bonds2

About 2-fluoro-1-methylidene-4-propan-2-ylsulfonylcyclohexane

2-fluoro-1-methylidene-4-propan-2-ylsulfonylcyclohexane (PubChem CID 123780725) has the molecular formula C10H17FO2S and a molecular weight of 220.31 g/mol. Its IUPAC name is 2-fluoro-1-methylidene-4-propan-2-ylsulfonylcyclohexane.

Molecular Properties

Compound Name2-fluoro-1-methylidene-4-propan-2-ylsulfonylcyclohexane
PubChem CID123780725
Molecular FormulaC10H17FO2S
Molecular Weight220.31 g/mol
Exact Mass220.09
IUPAC Name2-fluoro-1-methylidene-4-propan-2-ylsulfonylcyclohexane
SMILESC=C1CCC(S(=O)(=O)C(C)C)CC1F
InChIInChI=1S/C10H17FO2S/c1-7(2)14(12,13)9-5-4-8(3)10(11)6-9/h7,9-10H,3-6H2,1-2H3
InChIKeyAXTIODOKRLDYNY-UHFFFAOYSA-N
XLogP2.26
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Methylidene-3-(trifluoromethylsulfonyl)cyclohexane
CID 90762514
2-Fluoro-4-methylidene-1-methylsulfinylcyclohexane
CID 90806658
2-Fluoro-4-methylidene-1-methylsulfonylcyclohexane
CID 91239833
1-Ethylsulfinyl-2-fluoro-4-methylidenecyclohexane
CID 91250858
1-Ethylsulfonyl-2-fluoro-4-methylidenecyclohexane
CID 91294477
1-(Fluoromethylsulfonyl)-4-methylidenecyclohexane
CID 91306454
1-(Fluoromethylsulfinyl)-4-methylidenecyclohexane
CID 91548703
1-Methylidene-4-(trifluoromethylsulfonyl)cyclohexane
CID 91604490
4-Ethylsulfonyl-2-fluoro-1-methylidenecyclohexane
CID 123988801
(Z)-1-ethylsulfonyl-2-methylhex-1-ene
CID 12431667
1-Methylidene-4-methylsulfonylcyclohexane
CID 90725561
1-Ethylsulfonyl-4-methylidenecyclohexane
CID 90906328

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-methylidene-4-propan-2-ylsulfonylcyclohexane?
The IUPAC name of 2-fluoro-1-methylidene-4-propan-2-ylsulfonylcyclohexane (CID 123780725) is 2-fluoro-1-methylidene-4-propan-2-ylsulfonylcyclohexane.
What is the SMILES notation for 2-fluoro-1-methylidene-4-propan-2-ylsulfonylcyclohexane?
The canonical SMILES for 2-fluoro-1-methylidene-4-propan-2-ylsulfonylcyclohexane is C=C1CCC(S(=O)(=O)C(C)C)CC1F.
What is the InChIKey of 2-fluoro-1-methylidene-4-propan-2-ylsulfonylcyclohexane?
The InChIKey is AXTIODOKRLDYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FO2S/c1-7(2)14(12,13)9-5-4-8(3)10(11)6-9/h7,9-10H,3-6H2,1-2H3.
What are the key properties of 2-fluoro-1-methylidene-4-propan-2-ylsulfonylcyclohexane?
2-fluoro-1-methylidene-4-propan-2-ylsulfonylcyclohexane has a molecular weight of 220.31 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-methylidene-4-propan-2-ylsulfonylcyclohexane is sourced from PubChem (CID 123780725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).