4,4-difluoro-7-propan-2-yl-2,3-dihydrothiochromene

C12H14F2S — CID 176666386

IUPAC4,4-difluoro-7-propan-2-yl-2,3-dihydrothiochromene
SMILESCC(C)c1ccc2c(c1)SCCC2(F)F
InChIInChI=1S/C12H14F2S/c1-8(2)9-3-4-10-11(7-9)15-6-5-12(10,13)14/h3-4,7-8H,5-6H2,1-2H3
InChIKeyTUCJEEVPMYGOJT-UHFFFAOYSA-N
MW228.31 g/mol
LogP4.40
Rot. Bonds1

About 4,4-difluoro-7-propan-2-yl-2,3-dihydrothiochromene

4,4-difluoro-7-propan-2-yl-2,3-dihydrothiochromene (PubChem CID 176666386) has the molecular formula C12H14F2S and a molecular weight of 228.31 g/mol. Its IUPAC name is 4,4-difluoro-7-propan-2-yl-2,3-dihydrothiochromene.

Molecular Properties

Compound Name4,4-difluoro-7-propan-2-yl-2,3-dihydrothiochromene
PubChem CID176666386
Molecular FormulaC12H14F2S
Molecular Weight228.31 g/mol
Exact Mass228.08
IUPAC Name4,4-difluoro-7-propan-2-yl-2,3-dihydrothiochromene
SMILESCC(C)c1ccc2c(c1)SCCC2(F)F
InChIInChI=1S/C12H14F2S/c1-8(2)9-3-4-10-11(7-9)15-6-5-12(10,13)14/h3-4,7-8H,5-6H2,1-2H3
InChIKeyTUCJEEVPMYGOJT-UHFFFAOYSA-N
XLogP4.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.31
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4,4-difluoro-7-propan-2-yl-2,3-dihydroisoquinolin-1-one
CID 164878038
9,9,10,10-tetramethyl-2,6-di(propan-2-yl)anthracene
CID 59611136
2,7-di(propan-2-yl)spiro[fluorene-9,2'-thiane]
CID 90365446
1,1-difluoro-6-propan-2-yl-3,4-dihydro-2H-isoquinoline
CID 138535856
6,7-di(propan-2-yl)-2,3-dihydro-1,4-benzodithiine
CID 59480282
2,6-di(propan-2-yl)naphthalene;ethane
CID 142320223
5-propan-2-yl-2,3-dihydro-1,3-benzothiazole
CID 146691583
1',6-di(propan-2-yl)spiro[1,2-dihydroindene-3,4'-piperidine]
CID 170688151
1,1,3-trimethyl-5-propan-2-yl-3-(4-propan-2-ylphenyl)-2H-indene
CID 139620878
3-methyl-7-propan-2-yl-3,4-dihydro-2H-1,4-benzothiazine
CID 84620973
6-propan-2-ylspiro[2H-indene-3,1'-cyclopropane]-1-one
CID 83753374
1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;ethane
CID 158231247

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-7-propan-2-yl-2,3-dihydrothiochromene?
The IUPAC name of 4,4-difluoro-7-propan-2-yl-2,3-dihydrothiochromene (CID 176666386) is 4,4-difluoro-7-propan-2-yl-2,3-dihydrothiochromene.
What is the SMILES notation for 4,4-difluoro-7-propan-2-yl-2,3-dihydrothiochromene?
The canonical SMILES for 4,4-difluoro-7-propan-2-yl-2,3-dihydrothiochromene is CC(C)c1ccc2c(c1)SCCC2(F)F.
What is the InChIKey of 4,4-difluoro-7-propan-2-yl-2,3-dihydrothiochromene?
The InChIKey is TUCJEEVPMYGOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2S/c1-8(2)9-3-4-10-11(7-9)15-6-5-12(10,13)14/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of 4,4-difluoro-7-propan-2-yl-2,3-dihydrothiochromene?
4,4-difluoro-7-propan-2-yl-2,3-dihydrothiochromene has a molecular weight of 228.31 g/mol, XLogP of 4.40, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-7-propan-2-yl-2,3-dihydrothiochromene is sourced from PubChem (CID 176666386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).