2-chloro-1-fluorosulfonyloxyheptane

C7H14ClFO3S — CID 13379097

IUPAC2-chloro-1-fluorosulfonyloxyheptane
SMILESCCCCCC(Cl)COS(=O)(=O)F
InChIInChI=1S/C7H14ClFO3S/c1-2-3-4-5-7(8)6-12-13(9,10)11/h7H,2-6H2,1H3
InChIKeyVVGAAKYTAYASOX-UHFFFAOYSA-N
MW232.70 g/mol
LogP2.40
Rot. Bonds7

About 2-chloro-1-fluorosulfonyloxyheptane

2-chloro-1-fluorosulfonyloxyheptane (PubChem CID 13379097) has the molecular formula C7H14ClFO3S and a molecular weight of 232.70 g/mol. Its IUPAC name is 2-chloro-1-fluorosulfonyloxyheptane.

Molecular Properties

Compound Name2-chloro-1-fluorosulfonyloxyheptane
PubChem CID13379097
Molecular FormulaC7H14ClFO3S
Molecular Weight232.70 g/mol
Exact Mass232.03
IUPAC Name2-chloro-1-fluorosulfonyloxyheptane
SMILESCCCCCC(Cl)COS(=O)(=O)F
InChIInChI=1S/C7H14ClFO3S/c1-2-3-4-5-7(8)6-12-13(9,10)11/h7H,2-6H2,1H3
InChIKeyVVGAAKYTAYASOX-UHFFFAOYSA-N
XLogP2.40
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.70
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

17-chlorotritriacontane
CID 87852962
2-fluorodecyl methanesulfonate
CID 18945857
2-chloro-1-methoxyhexane
CID 13146998
potassium;1-fluorosulfonyloxyundecane;hydride
CID 175162484
4-chloropentadecane
CID 63459834
3-chlorohenicosane
CID 87067964
3-chlorohexadecane
CID 63459281
4-chlorotridecane
CID 63460920
12-chlorooctacosane;N-methylmethanamine
CID 122611467
(2S)-1,2-dichlorododecane
CID 98052710
9-chlorohexacosane;N-methylmethanamine
CID 122613288
2-octyldodecyl methanesulfonate
CID 19905964

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-fluorosulfonyloxyheptane?
The IUPAC name of 2-chloro-1-fluorosulfonyloxyheptane (CID 13379097) is 2-chloro-1-fluorosulfonyloxyheptane.
What is the SMILES notation for 2-chloro-1-fluorosulfonyloxyheptane?
The canonical SMILES for 2-chloro-1-fluorosulfonyloxyheptane is CCCCCC(Cl)COS(=O)(=O)F.
What is the InChIKey of 2-chloro-1-fluorosulfonyloxyheptane?
The InChIKey is VVGAAKYTAYASOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClFO3S/c1-2-3-4-5-7(8)6-12-13(9,10)11/h7H,2-6H2,1H3.
What are the key properties of 2-chloro-1-fluorosulfonyloxyheptane?
2-chloro-1-fluorosulfonyloxyheptane has a molecular weight of 232.70 g/mol, XLogP of 2.40, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-fluorosulfonyloxyheptane is sourced from PubChem (CID 13379097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).