5-fluorospiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopropane]

C10H10FNS — CID 115096974

IUPAC5-fluorospiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopropane]
SMILESFc1cccc2c1NCC1(CC1)S2
InChIInChI=1S/C10H10FNS/c11-7-2-1-3-8-9(7)12-6-10(13-8)4-5-10/h1-3,12H,4-6H2
InChIKeyJGCDJKLLMZPRHX-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.88
Rot. Bonds

About 5-fluorospiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopropane]

5-fluorospiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopropane] (PubChem CID 115096974) has the molecular formula C10H10FNS and a molecular weight of 195.26 g/mol. Its IUPAC name is 5-fluorospiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopropane].

Molecular Properties

Compound Name5-fluorospiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopropane]
PubChem CID115096974
Molecular FormulaC10H10FNS
Molecular Weight195.26 g/mol
Exact Mass195.05
IUPAC Name5-fluorospiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopropane]
SMILESFc1cccc2c1NCC1(CC1)S2
InChIInChI=1S/C10H10FNS/c11-7-2-1-3-8-9(7)12-6-10(13-8)4-5-10/h1-3,12H,4-6H2
InChIKeyJGCDJKLLMZPRHX-UHFFFAOYSA-N
XLogP2.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluorospiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopropane]?
The IUPAC name of 5-fluorospiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopropane] (CID 115096974) is 5-fluorospiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopropane].
What is the SMILES notation for 5-fluorospiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopropane]?
The canonical SMILES for 5-fluorospiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopropane] is Fc1cccc2c1NCC1(CC1)S2.
What is the InChIKey of 5-fluorospiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopropane]?
The InChIKey is JGCDJKLLMZPRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNS/c11-7-2-1-3-8-9(7)12-6-10(13-8)4-5-10/h1-3,12H,4-6H2.
What are the key properties of 5-fluorospiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopropane]?
5-fluorospiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopropane] has a molecular weight of 195.26 g/mol, XLogP of 2.88, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluorospiro[3,4-dihydro-1,4-benzothiazine-2,1'-cyclopropane] is sourced from PubChem (CID 115096974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).