1-fluorosulfonyloxy-4-(hydroxymethyl)benzene

C7H7FO4S — CID 137402069

IUPAC1-fluorosulfonyloxy-4-(hydroxymethyl)benzene
SMILESO=S(=O)(F)Oc1ccc(CO)cc1
InChIInChI=1S/C7H7FO4S/c8-13(10,11)12-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2
InChIKeyCUXHCEALIQQRHK-UHFFFAOYSA-N
MW206.19 g/mol
LogP0.77
Rot. Bonds3

About 1-fluorosulfonyloxy-4-(hydroxymethyl)benzene

1-fluorosulfonyloxy-4-(hydroxymethyl)benzene (PubChem CID 137402069) has the molecular formula C7H7FO4S and a molecular weight of 206.19 g/mol. Its IUPAC name is 1-fluorosulfonyloxy-4-(hydroxymethyl)benzene.

Molecular Properties

Compound Name1-fluorosulfonyloxy-4-(hydroxymethyl)benzene
PubChem CID137402069
Molecular FormulaC7H7FO4S
Molecular Weight206.19 g/mol
Exact Mass206.00
IUPAC Name1-fluorosulfonyloxy-4-(hydroxymethyl)benzene
SMILESO=S(=O)(F)Oc1ccc(CO)cc1
InChIInChI=1S/C7H7FO4S/c8-13(10,11)12-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2
InChIKeyCUXHCEALIQQRHK-UHFFFAOYSA-N
XLogP0.77
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.19
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-bis(fluorosulfonyloxy)benzene
CID 118561819
1-(aminomethyl)-4-fluorosulfonyloxybenzene;hydrochloride
CID 170911916
2-amino-3-(4-fluorosulfonyloxyphenyl)propanoic acid
CID 130202342
1-fluorosulfonyloxy-4-(2,2,2-trifluoroethoxy)benzene
CID 146049120
1-fluorosulfonyloxy-4-prop-2-enoxybenzene
CID 168819364
4-fluorosulfonyloxypyridine
CID 86171970
[4-(fluoromethoxy)phenyl]methanol
CID 54255227
[4-(4-methoxyphenyl)sulfonylphenyl]methanol
CID 70863002
[4-[4-(hydroxymethyl)phenyl]sulfonylphenyl]methanol
CID 572397
(4-methoxyphenyl)methanol
CID 7738
[4-(hydroxymethyl)phenyl] nitrite
CID 175925378
1-ethenylsulfonyl-4-fluorosulfonyloxybenzene
CID 169258949

Frequently Asked Questions

What is the IUPAC name of 1-fluorosulfonyloxy-4-(hydroxymethyl)benzene?
The IUPAC name of 1-fluorosulfonyloxy-4-(hydroxymethyl)benzene (CID 137402069) is 1-fluorosulfonyloxy-4-(hydroxymethyl)benzene.
What is the SMILES notation for 1-fluorosulfonyloxy-4-(hydroxymethyl)benzene?
The canonical SMILES for 1-fluorosulfonyloxy-4-(hydroxymethyl)benzene is O=S(=O)(F)Oc1ccc(CO)cc1.
What is the InChIKey of 1-fluorosulfonyloxy-4-(hydroxymethyl)benzene?
The InChIKey is CUXHCEALIQQRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FO4S/c8-13(10,11)12-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2.
What are the key properties of 1-fluorosulfonyloxy-4-(hydroxymethyl)benzene?
1-fluorosulfonyloxy-4-(hydroxymethyl)benzene has a molecular weight of 206.19 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluorosulfonyloxy-4-(hydroxymethyl)benzene is sourced from PubChem (CID 137402069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).