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

C12H12ClFS — CID 123979166

IUPAC5-chloro-4-cyclopropyl-8-fluoro-3,4-dihydro-2H-thiochromene
SMILESFc1ccc(Cl)c2c1SCCC2C1CC1
InChIInChI=1S/C12H12ClFS/c13-9-3-4-10(14)12-11(9)8(5-6-15-12)7-1-2-7/h3-4,7-8H,1-2,5-6H2
InChIKeySAKAGUOORSELLR-UHFFFAOYSA-N
MW242.75 g/mol
LogP4.47
Rot. Bonds1

About 5-chloro-4-cyclopropyl-8-fluoro-3,4-dihydro-2H-thiochromene

5-chloro-4-cyclopropyl-8-fluoro-3,4-dihydro-2H-thiochromene (PubChem CID 123979166) has the molecular formula C12H12ClFS and a molecular weight of 242.75 g/mol. Its IUPAC name is 5-chloro-4-cyclopropyl-8-fluoro-3,4-dihydro-2H-thiochromene.

Molecular Properties

Compound Name5-chloro-4-cyclopropyl-8-fluoro-3,4-dihydro-2H-thiochromene
PubChem CID123979166
Molecular FormulaC12H12ClFS
Molecular Weight242.75 g/mol
Exact Mass242.03
IUPAC Name5-chloro-4-cyclopropyl-8-fluoro-3,4-dihydro-2H-thiochromene
SMILESFc1ccc(Cl)c2c1SCCC2C1CC1
InChIInChI=1S/C12H12ClFS/c13-9-3-4-10(14)12-11(9)8(5-6-15-12)7-1-2-7/h3-4,7-8H,1-2,5-6H2
InChIKeySAKAGUOORSELLR-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

4-cyclopropyl-5,6-difluoro-3,4-dihydro-2H-thiochromene
CID 123463502
8-chloro-4-cyclopropyl-6-fluoro-3,4-dihydro-2H-thiochromene
CID 123743846
(5R)-6-chloro-9-fluoro-1,3,4,5-tetrahydro-2-benzothiepin-5-amine
CID 103052092
(5S)-6-chloro-9-fluoro-1,3,4,5-tetrahydro-2-benzothiepin-5-amine
CID 103052090
5,8-difluoro-N-propan-2-yl-3,4-dihydro-2H-thiochromen-4-amine
CID 43539579
(1R)-7-chloro-4-fluoro-2,3-dihydro-1H-inden-1-amine
CID 55275436
N-(2,4-dichlorophenyl)-8-fluoro-3,4-dihydro-2H-thiochromen-4-amine
CID 43758723
(1S)-4-chloro-7-fluoro-2,3-dihydro-1H-inden-1-amine
CID 130612015
5-chloro-8-fluoro-3-propan-2-yl-3,4-dihydro-1H-isothiochromen-4-ol
CID 103052051
[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]azanium
CID 7131598
2-(6-chloro-2,3-difluorophenyl)cyclopentan-1-one
CID 130512146
(2S)-2-(3-chloro-2,6-difluorophenyl)pyrrolidine;hydrochloride
CID 171196413

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-cyclopropyl-8-fluoro-3,4-dihydro-2H-thiochromene?
The IUPAC name of 5-chloro-4-cyclopropyl-8-fluoro-3,4-dihydro-2H-thiochromene (CID 123979166) is 5-chloro-4-cyclopropyl-8-fluoro-3,4-dihydro-2H-thiochromene.
What is the SMILES notation for 5-chloro-4-cyclopropyl-8-fluoro-3,4-dihydro-2H-thiochromene?
The canonical SMILES for 5-chloro-4-cyclopropyl-8-fluoro-3,4-dihydro-2H-thiochromene is Fc1ccc(Cl)c2c1SCCC2C1CC1.
What is the InChIKey of 5-chloro-4-cyclopropyl-8-fluoro-3,4-dihydro-2H-thiochromene?
The InChIKey is SAKAGUOORSELLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFS/c13-9-3-4-10(14)12-11(9)8(5-6-15-12)7-1-2-7/h3-4,7-8H,1-2,5-6H2.
What are the key properties of 5-chloro-4-cyclopropyl-8-fluoro-3,4-dihydro-2H-thiochromene?
5-chloro-4-cyclopropyl-8-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 5-chloro-4-cyclopropyl-8-fluoro-3,4-dihydro-2H-thiochromene is sourced from PubChem (CID 123979166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).