2-fluoro-2-propan-2-ylsulfonylpentane

C8H17FO2S — CID 161159167

IUPAC2-fluoro-2-propan-2-ylsulfonylpentane
SMILESCCCC(C)(F)S(=O)(=O)C(C)C
InChIInChI=1S/C8H17FO2S/c1-5-6-8(4,9)12(10,11)7(2)3/h7H,5-6H2,1-4H3
InChIKeyYQCXJVIGPTUSHU-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.30
Rot. Bonds4

About 2-fluoro-2-propan-2-ylsulfonylpentane

2-fluoro-2-propan-2-ylsulfonylpentane (PubChem CID 161159167) has the molecular formula C8H17FO2S and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-fluoro-2-propan-2-ylsulfonylpentane.

Molecular Properties

Compound Name2-fluoro-2-propan-2-ylsulfonylpentane
PubChem CID161159167
Molecular FormulaC8H17FO2S
Molecular Weight196.29 g/mol
Exact Mass196.09
IUPAC Name2-fluoro-2-propan-2-ylsulfonylpentane
SMILESCCCC(C)(F)S(=O)(=O)C(C)C
InChIInChI=1S/C8H17FO2S/c1-5-6-8(4,9)12(10,11)7(2)3/h7H,5-6H2,1-4H3
InChIKeyYQCXJVIGPTUSHU-UHFFFAOYSA-N
XLogP2.30
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-fluoro-2,3-dimethylhexane
CID 169026252
lithium 1,1,2,2-tetrafluoropentane-1-sulfonate
CID 122481559
2-fluorohexane-2-sulfonic acid
CID 147161475
potassium 1,1,2,2-tetrafluoropentane-1-sulfonate
CID 122481459
4-fluoro-2,3,4-trimethyl-3-propan-2-ylheptane
CID 167184895
1,1-bis(trifluoromethylsulfonyl)butan-1-ol
CID 21467863
ethane;2,3,3-trifluoro-2-methylhexane
CID 178006471
3-methyl-3-propylhexan-2-ol
CID 20501676
2-methyl-2-(2-propan-2-ylsulfonylethyl)pentan-1-amine
CID 106729782
2-methyl-1-(2-propan-2-ylsulfonylethylamino)pentan-2-ol
CID 106293022
3-methylhexane-3-sulfonamide
CID 57466986
2,2-bis(ethylsulfonyl)-3-methylbutane
CID 87259989

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-propan-2-ylsulfonylpentane?
The IUPAC name of 2-fluoro-2-propan-2-ylsulfonylpentane (CID 161159167) is 2-fluoro-2-propan-2-ylsulfonylpentane.
What is the SMILES notation for 2-fluoro-2-propan-2-ylsulfonylpentane?
The canonical SMILES for 2-fluoro-2-propan-2-ylsulfonylpentane is CCCC(C)(F)S(=O)(=O)C(C)C.
What is the InChIKey of 2-fluoro-2-propan-2-ylsulfonylpentane?
The InChIKey is YQCXJVIGPTUSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17FO2S/c1-5-6-8(4,9)12(10,11)7(2)3/h7H,5-6H2,1-4H3.
What are the key properties of 2-fluoro-2-propan-2-ylsulfonylpentane?
2-fluoro-2-propan-2-ylsulfonylpentane has a molecular weight of 196.29 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-propan-2-ylsulfonylpentane is sourced from PubChem (CID 161159167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).