4-cyclopropyl-5,6-difluoro-3,4-dihydro-2H-thiochromene

C12H12F2S — CID 123463502

IUPAC4-cyclopropyl-5,6-difluoro-3,4-dihydro-2H-thiochromene
SMILESFc1ccc2c(c1F)C(C1CC1)CCS2
InChIInChI=1S/C12H12F2S/c13-9-3-4-10-11(12(9)14)8(5-6-15-10)7-1-2-7/h3-4,7-8H,1-2,5-6H2
InChIKeyCDCHDFVQGICDBS-UHFFFAOYSA-N
MW226.29 g/mol
LogP3.95
Rot. Bonds1

About 4-cyclopropyl-5,6-difluoro-3,4-dihydro-2H-thiochromene

4-cyclopropyl-5,6-difluoro-3,4-dihydro-2H-thiochromene (PubChem CID 123463502) has the molecular formula C12H12F2S and a molecular weight of 226.29 g/mol. Its IUPAC name is 4-cyclopropyl-5,6-difluoro-3,4-dihydro-2H-thiochromene.

Molecular Properties

Compound Name4-cyclopropyl-5,6-difluoro-3,4-dihydro-2H-thiochromene
PubChem CID123463502
Molecular FormulaC12H12F2S
Molecular Weight226.29 g/mol
Exact Mass226.06
IUPAC Name4-cyclopropyl-5,6-difluoro-3,4-dihydro-2H-thiochromene
SMILESFc1ccc2c(c1F)C(C1CC1)CCS2
InChIInChI=1S/C12H12F2S/c13-9-3-4-10-11(12(9)14)8(5-6-15-10)7-1-2-7/h3-4,7-8H,1-2,5-6H2
InChIKeyCDCHDFVQGICDBS-UHFFFAOYSA-N
XLogP3.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-4-cyclopropyl-8-fluoro-3,4-dihydro-2H-thiochromene
CID 123979166
8-chloro-4-cyclopropyl-6-fluoro-3,4-dihydro-2H-thiochromene
CID 123743846
4-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-2-fluorophenol
CID 64794262
6-chloro-N-(2,6-difluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 43773146
6-chloro-N-(2-fluorophenyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 43763363
4-bromo-5,6-dichloro-3,4-dihydro-2H-thiochromene
CID 131137957
bis(2-cyclobutyl-3,4-difluorophenyl)methanone
CID 73011575
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-2,2,2-trifluoroacetamide
CID 62492313
3-cyclohexyl-1,2-difluoro-4-methylbenzene
CID 131994497
1-cyclopropyl-7-propan-2-yl-2,3-dihydro-1H-indene;1,2-difluoro-8-propan-2-ylnaphthalene
CID 170571633
N-[(3-chloro-4-fluorophenyl)methyl]-6-fluoro-3,4-dihydro-2H-thiochromen-4-amine
CID 81148308
6-chloro-N-(3-methylsulfanylphenyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 43757315

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5,6-difluoro-3,4-dihydro-2H-thiochromene?
The IUPAC name of 4-cyclopropyl-5,6-difluoro-3,4-dihydro-2H-thiochromene (CID 123463502) is 4-cyclopropyl-5,6-difluoro-3,4-dihydro-2H-thiochromene.
What is the SMILES notation for 4-cyclopropyl-5,6-difluoro-3,4-dihydro-2H-thiochromene?
The canonical SMILES for 4-cyclopropyl-5,6-difluoro-3,4-dihydro-2H-thiochromene is Fc1ccc2c(c1F)C(C1CC1)CCS2.
What is the InChIKey of 4-cyclopropyl-5,6-difluoro-3,4-dihydro-2H-thiochromene?
The InChIKey is CDCHDFVQGICDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2S/c13-9-3-4-10-11(12(9)14)8(5-6-15-10)7-1-2-7/h3-4,7-8H,1-2,5-6H2.
What are the key properties of 4-cyclopropyl-5,6-difluoro-3,4-dihydro-2H-thiochromene?
4-cyclopropyl-5,6-difluoro-3,4-dihydro-2H-thiochromene has a molecular weight of 226.29 g/mol, XLogP of 3.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5,6-difluoro-3,4-dihydro-2H-thiochromene is sourced from PubChem (CID 123463502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).