7-fluoro-4-methyl-3,4-dihydro-2H-thiochromene

C10H11FS — CID 144911984

IUPAC7-fluoro-4-methyl-3,4-dihydro-2H-thiochromene
SMILESCC1CCSc2cc(F)ccc21
InChIInChI=1S/C10H11FS/c1-7-4-5-12-10-6-8(11)2-3-9(7)10/h2-3,6-7H,4-5H2,1H3
InChIKeyORRQDFLPJVTYLR-UHFFFAOYSA-N
MW182.26 g/mol
LogP3.42
Rot. Bonds

About 7-fluoro-4-methyl-3,4-dihydro-2H-thiochromene

7-fluoro-4-methyl-3,4-dihydro-2H-thiochromene (PubChem CID 144911984) has the molecular formula C10H11FS and a molecular weight of 182.26 g/mol. Its IUPAC name is 7-fluoro-4-methyl-3,4-dihydro-2H-thiochromene.

Molecular Properties

Compound Name7-fluoro-4-methyl-3,4-dihydro-2H-thiochromene
PubChem CID144911984
Molecular FormulaC10H11FS
Molecular Weight182.26 g/mol
Exact Mass182.06
IUPAC Name7-fluoro-4-methyl-3,4-dihydro-2H-thiochromene
SMILESCC1CCSc2cc(F)ccc21
InChIInChI=1S/C10H11FS/c1-7-4-5-12-10-6-8(11)2-3-9(7)10/h2-3,6-7H,4-5H2,1H3
InChIKeyORRQDFLPJVTYLR-UHFFFAOYSA-N
XLogP3.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;7-fluoro-4-methyl-3,4-dihydro-2H-thiochromene
CID 144911983
7-methoxy-4-methyl-3,4-dihydro-2H-thiochromene
CID 121216944
(4R)-4-methyl-3,4-dihydro-2H-thiochromene-7-carboxylic acid
CID 59089463
ethane;4-methyl-3,4-dihydro-2H-thiochromene-7-carbonitrile
CID 144911990
ethane;4-methyl-3,4-dihydro-2H-thiochromene
CID 143216887
(1S)-7-fluoro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417616
7-fluoro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115417620
5-methyl-2,3,4,5-tetrahydro-1-benzothiepine
CID 19935526
N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)acetamide
CID 47121346
(11S)-3,8-difluoro-11-propan-2-yl-6,11-dihydrobenzo[c][1]benzothiepine
CID 155174987
7-fluoro-2,3,4,5-tetrahydro-1-benzothiepin-5-amine
CID 43155199
3-bromo-5-fluoro-1-methyl-2,3-dihydro-1H-indene
CID 63821756

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-methyl-3,4-dihydro-2H-thiochromene?
The IUPAC name of 7-fluoro-4-methyl-3,4-dihydro-2H-thiochromene (CID 144911984) is 7-fluoro-4-methyl-3,4-dihydro-2H-thiochromene.
What is the SMILES notation for 7-fluoro-4-methyl-3,4-dihydro-2H-thiochromene?
The canonical SMILES for 7-fluoro-4-methyl-3,4-dihydro-2H-thiochromene is CC1CCSc2cc(F)ccc21.
What is the InChIKey of 7-fluoro-4-methyl-3,4-dihydro-2H-thiochromene?
The InChIKey is ORRQDFLPJVTYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FS/c1-7-4-5-12-10-6-8(11)2-3-9(7)10/h2-3,6-7H,4-5H2,1H3.
What are the key properties of 7-fluoro-4-methyl-3,4-dihydro-2H-thiochromene?
7-fluoro-4-methyl-3,4-dihydro-2H-thiochromene has a molecular weight of 182.26 g/mol, XLogP of 3.42, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-methyl-3,4-dihydro-2H-thiochromene is sourced from PubChem (CID 144911984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).