1-(1-fluoroethyl)phenoxathiine 10,10-dioxide

C14H11FO3S — CID 10540536

IUPAC1-(1-fluoroethyl)phenoxathiine 10,10-dioxide
SMILESCC(F)c1cccc2c1S(=O)(=O)c1ccccc1O2
InChIInChI=1S/C14H11FO3S/c1-9(15)10-5-4-7-12-14(10)19(16,17)13-8-3-2-6-11(13)18-12/h2-9H,1H3
InChIKeyKGHVOYQIUWCDRW-UHFFFAOYSA-N
MW278.30 g/mol
LogP3.66
Rot. Bonds1

About 1-(1-fluoroethyl)phenoxathiine 10,10-dioxide

1-(1-fluoroethyl)phenoxathiine 10,10-dioxide (PubChem CID 10540536) has the molecular formula C14H11FO3S and a molecular weight of 278.30 g/mol. Its IUPAC name is 1-(1-fluoroethyl)phenoxathiine 10,10-dioxide.

Molecular Properties

Compound Name1-(1-fluoroethyl)phenoxathiine 10,10-dioxide
PubChem CID10540536
Molecular FormulaC14H11FO3S
Molecular Weight278.30 g/mol
Exact Mass278.04
IUPAC Name1-(1-fluoroethyl)phenoxathiine 10,10-dioxide
SMILESCC(F)c1cccc2c1S(=O)(=O)c1ccccc1O2
InChIInChI=1S/C14H11FO3S/c1-9(15)10-5-4-7-12-14(10)19(16,17)13-8-3-2-6-11(13)18-12/h2-9H,1H3
InChIKeyKGHVOYQIUWCDRW-UHFFFAOYSA-N
XLogP3.66
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Phenoxathiin, 10,10-dioxide
CID 70369
1-Ethylphenoxathiin 10,10-dioxide
CID 126111
Disodium decylphenoxybenzenedisulfonate
CID 22833332
1-Phenoxathiinethanol, 10,10-dioxide
CID 9860394
1-(1-Hydroxyethyl)phenoxathiin 10,10-dioxide
CID 9993586
1-Ethenylphenoxathiine 10,10-dioxide
CID 10038124
3-Methyl-phenoxathiine 10,10-dioxide
CID 15259943
6-Ethyl-3-trifluoromethyl-2,3-dihydro-benzo[1,4]oxathiine 4,4-dioxide
CID 571273
1,1-Dioxido-1-benzothien-3-yl 4-fluorophenyl ether
CID 2187358
1-Methyl-phenoxathiine 10,10-dioxide
CID 10490634
9-Ethyl-10,10-dioxo-10H-10lambda*6*-phenoxathiin-3-ol
CID 10492702
1-Bromomethyl-phenoxathiine 10,10-dioxide
CID 10520068

Frequently Asked Questions

What is the IUPAC name of 1-(1-fluoroethyl)phenoxathiine 10,10-dioxide?
The IUPAC name of 1-(1-fluoroethyl)phenoxathiine 10,10-dioxide (CID 10540536) is 1-(1-fluoroethyl)phenoxathiine 10,10-dioxide.
What is the SMILES notation for 1-(1-fluoroethyl)phenoxathiine 10,10-dioxide?
The canonical SMILES for 1-(1-fluoroethyl)phenoxathiine 10,10-dioxide is CC(F)c1cccc2c1S(=O)(=O)c1ccccc1O2.
What is the InChIKey of 1-(1-fluoroethyl)phenoxathiine 10,10-dioxide?
The InChIKey is KGHVOYQIUWCDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FO3S/c1-9(15)10-5-4-7-12-14(10)19(16,17)13-8-3-2-6-11(13)18-12/h2-9H,1H3.
What are the key properties of 1-(1-fluoroethyl)phenoxathiine 10,10-dioxide?
1-(1-fluoroethyl)phenoxathiine 10,10-dioxide has a molecular weight of 278.30 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-fluoroethyl)phenoxathiine 10,10-dioxide is sourced from PubChem (CID 10540536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).