(4-cyclopropyl-3,4-dihydro-2H-chromen-8-yl) thiohypofluorite

C12H13FOS — CID 123323744

IUPAC(4-cyclopropyl-3,4-dihydro-2H-chromen-8-yl) thiohypofluorite
SMILESFSc1cccc2c1OCCC2C1CC1
InChIInChI=1S/C12H13FOS/c13-15-11-3-1-2-10-9(8-4-5-8)6-7-14-12(10)11/h1-3,8-9H,4-7H2
InChIKeyPTRJZIOZTGUOQQ-UHFFFAOYSA-N
MW224.30 g/mol
LogP3.94
Rot. Bonds2

About (4-cyclopropyl-3,4-dihydro-2H-chromen-8-yl) thiohypofluorite

(4-cyclopropyl-3,4-dihydro-2H-chromen-8-yl) thiohypofluorite (PubChem CID 123323744) has the molecular formula C12H13FOS and a molecular weight of 224.30 g/mol. Its IUPAC name is (4-cyclopropyl-3,4-dihydro-2H-chromen-8-yl) thiohypofluorite.

Molecular Properties

Compound Name(4-cyclopropyl-3,4-dihydro-2H-chromen-8-yl) thiohypofluorite
PubChem CID123323744
Molecular FormulaC12H13FOS
Molecular Weight224.30 g/mol
Exact Mass224.07
IUPAC Name(4-cyclopropyl-3,4-dihydro-2H-chromen-8-yl) thiohypofluorite
SMILESFSc1cccc2c1OCCC2C1CC1
InChIInChI=1S/C12H13FOS/c13-15-11-3-1-2-10-9(8-4-5-8)6-7-14-12(10)11/h1-3,8-9H,4-7H2
InChIKeyPTRJZIOZTGUOQQ-UHFFFAOYSA-N
XLogP3.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-Dihydro-2H-1-benzopyran-8-sulfonyl chloride
CID 45594303
8-Methyl-2,3-dihydro-1,4-benzoxathiine
CID 13513258
4-Vinylchromane
CID 24976133
2,2-Dimethyl-3,4-dihydrochromene-8-sulfonyl chloride
CID 84710266
2-cyclopropyl-4-methyl-3,4-dihydro-2H-1-benzopyran-6-sulfonyl chloride
CID 165590425
8-hydroxysulfanyl-3,4-dihydro-2H-chromene
CID 57105823
8-Thiochromane
CID 123990330
Cyclopropyl chromane
CID 129846153
2-cyclopropyl-6-fluoro-3,4-dihydro-2H-chromene
CID 53486334
(2R)-2-cyclopropyl-6-fluoro-3,4-dihydro-2H-chromene
CID 57756986
(2S)-2-cyclopropyl-6-fluoro-3,4-dihydro-2H-chromene
CID 93602496
(4-cyclopropyl-3,4-dihydro-2H-chromen-7-yl) thiohypofluorite
CID 123248958

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyl-3,4-dihydro-2H-chromen-8-yl) thiohypofluorite?
The IUPAC name of (4-cyclopropyl-3,4-dihydro-2H-chromen-8-yl) thiohypofluorite (CID 123323744) is (4-cyclopropyl-3,4-dihydro-2H-chromen-8-yl) thiohypofluorite.
What is the SMILES notation for (4-cyclopropyl-3,4-dihydro-2H-chromen-8-yl) thiohypofluorite?
The canonical SMILES for (4-cyclopropyl-3,4-dihydro-2H-chromen-8-yl) thiohypofluorite is FSc1cccc2c1OCCC2C1CC1.
What is the InChIKey of (4-cyclopropyl-3,4-dihydro-2H-chromen-8-yl) thiohypofluorite?
The InChIKey is PTRJZIOZTGUOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FOS/c13-15-11-3-1-2-10-9(8-4-5-8)6-7-14-12(10)11/h1-3,8-9H,4-7H2.
What are the key properties of (4-cyclopropyl-3,4-dihydro-2H-chromen-8-yl) thiohypofluorite?
(4-cyclopropyl-3,4-dihydro-2H-chromen-8-yl) thiohypofluorite has a molecular weight of 224.30 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyl-3,4-dihydro-2H-chromen-8-yl) thiohypofluorite is sourced from PubChem (CID 123323744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).