8-chloro-4-cyclopropyl-6-fluoro-3,4-dihydro-2H-thiochromene

C12H12ClFS — CID 123743846

IUPAC8-chloro-4-cyclopropyl-6-fluoro-3,4-dihydro-2H-thiochromene
SMILESFc1cc(Cl)c2c(c1)C(C1CC1)CCS2
InChIInChI=1S/C12H12ClFS/c13-11-6-8(14)5-10-9(7-1-2-7)3-4-15-12(10)11/h5-7,9H,1-4H2
InChIKeyXANLDSVNIHNGKB-UHFFFAOYSA-N
MW242.75 g/mol
LogP4.47
Rot. Bonds1

About 8-chloro-4-cyclopropyl-6-fluoro-3,4-dihydro-2H-thiochromene

8-chloro-4-cyclopropyl-6-fluoro-3,4-dihydro-2H-thiochromene (PubChem CID 123743846) has the molecular formula C12H12ClFS and a molecular weight of 242.75 g/mol. Its IUPAC name is 8-chloro-4-cyclopropyl-6-fluoro-3,4-dihydro-2H-thiochromene.

Molecular Properties

Compound Name8-chloro-4-cyclopropyl-6-fluoro-3,4-dihydro-2H-thiochromene
PubChem CID123743846
Molecular FormulaC12H12ClFS
Molecular Weight242.75 g/mol
Exact Mass242.03
IUPAC Name8-chloro-4-cyclopropyl-6-fluoro-3,4-dihydro-2H-thiochromene
SMILESFc1cc(Cl)c2c(c1)C(C1CC1)CCS2
InChIInChI=1S/C12H12ClFS/c13-11-6-8(14)5-10-9(7-1-2-7)3-4-15-12(10)11/h5-7,9H,1-4H2
InChIKeyXANLDSVNIHNGKB-UHFFFAOYSA-N
XLogP4.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 54.47
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
4-cyclopropyl-5,6-difluoro-3,4-dihydro-2H-thiochromene
CID 123463502
3-chloro-2,5-difluorophenol
CID 84651989
8-chloro-6-fluoro-1,2,3,4-tetrahydroquinolin-4-amine
CID 131050920
N-(3-chloro-4-methylphenyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine
CID 43757422
8-chloro-6-fluoro-4-methyl-3,4-dihydro-2H-naphthalen-1-one
CID 139984537
N-(2,4-dichlorophenyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine
CID 43758723
N-(2,6-dichloro-4-fluorophenyl)cyclopropanecarboxamide
CID 82889777
N-(3,5-difluorophenyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine
CID 43765030
8-chloro-3-ethyl-6-fluoro-N-methyl-3,4-dihydro-1H-isothiochromen-4-amine
CID 105356620
8-chloro-3,4-dihydro-2H-thiochromene-4-carboxylic acid
CID 82391144
N-(2,6-dichloro-4-fluorophenyl)-2,3-dihydro-1H-inden-1-amine
CID 83077299

Frequently Asked Questions

What is the IUPAC name of 8-chloro-4-cyclopropyl-6-fluoro-3,4-dihydro-2H-thiochromene?
The IUPAC name of 8-chloro-4-cyclopropyl-6-fluoro-3,4-dihydro-2H-thiochromene (CID 123743846) is 8-chloro-4-cyclopropyl-6-fluoro-3,4-dihydro-2H-thiochromene.
What is the SMILES notation for 8-chloro-4-cyclopropyl-6-fluoro-3,4-dihydro-2H-thiochromene?
The canonical SMILES for 8-chloro-4-cyclopropyl-6-fluoro-3,4-dihydro-2H-thiochromene is Fc1cc(Cl)c2c(c1)C(C1CC1)CCS2.
What is the InChIKey of 8-chloro-4-cyclopropyl-6-fluoro-3,4-dihydro-2H-thiochromene?
The InChIKey is XANLDSVNIHNGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFS/c13-11-6-8(14)5-10-9(7-1-2-7)3-4-15-12(10)11/h5-7,9H,1-4H2.
What are the key properties of 8-chloro-4-cyclopropyl-6-fluoro-3,4-dihydro-2H-thiochromene?
8-chloro-4-cyclopropyl-6-fluoro-3,4-dihydro-2H-thiochromene has a molecular weight of 242.75 g/mol, XLogP of 4.47, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4-cyclopropyl-6-fluoro-3,4-dihydro-2H-thiochromene is sourced from PubChem (CID 123743846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).