7-fluoro-4-(2-methylpentan-2-yl)-3,4-dihydro-2H-thiochromene 1,1-dioxide

C15H21FO2S — CID 137434693

IUPAC7-fluoro-4-(2-methylpentan-2-yl)-3,4-dihydro-2H-thiochromene 1,1-dioxide
SMILESCCCC(C)(C)C1CCS(=O)(=O)c2cc(F)ccc21
InChIInChI=1S/C15H21FO2S/c1-4-8-15(2,3)13-7-9-19(17,18)14-10-11(16)5-6-12(13)14/h5-6,10,13H,4,7-9H2,1-3H3
InChIKeyNLQAPZCMJOUDGC-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.91
Rot. Bonds3

About 7-fluoro-4-(2-methylpentan-2-yl)-3,4-dihydro-2H-thiochromene 1,1-dioxide

7-fluoro-4-(2-methylpentan-2-yl)-3,4-dihydro-2H-thiochromene 1,1-dioxide (PubChem CID 137434693) has the molecular formula C15H21FO2S and a molecular weight of 284.40 g/mol. Its IUPAC name is 7-fluoro-4-(2-methylpentan-2-yl)-3,4-dihydro-2H-thiochromene 1,1-dioxide.

Molecular Properties

Compound Name7-fluoro-4-(2-methylpentan-2-yl)-3,4-dihydro-2H-thiochromene 1,1-dioxide
PubChem CID137434693
Molecular FormulaC15H21FO2S
Molecular Weight284.40 g/mol
Exact Mass284.12
IUPAC Name7-fluoro-4-(2-methylpentan-2-yl)-3,4-dihydro-2H-thiochromene 1,1-dioxide
SMILESCCCC(C)(C)C1CCS(=O)(=O)c2cc(F)ccc21
InChIInChI=1S/C15H21FO2S/c1-4-8-15(2,3)13-7-9-19(17,18)14-10-11(16)5-6-12(13)14/h5-6,10,13H,4,7-9H2,1-3H3
InChIKeyNLQAPZCMJOUDGC-UHFFFAOYSA-N
XLogP3.91
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-7-fluoro-3,4-dihydro-2H-thiochromene 1,1-dioxide
CID 118329340
8-fluoro-1,1-dioxo-N-propyl-2,3,4,5-tetrahydro-1λ6-benzothiepin-5-amine
CID 102972259
4-tert-butyl-7-(4-tert-butyl-6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-2-yl)-8-methyl-3,4-dihydro-2H-thiochromene 1,1-dioxide
CID 130426365
(4R)-6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
CID 28947359
6-fluoro-1,1-dioxo-N-(3-propoxypropyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 82941544
3-[(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]-2,2-dimethylpropanamide
CID 104925276
N-(3-ethylpentan-2-yl)-6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
CID 63842929
2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2-methylpropan-1-ol
CID 105461969
(2S)-2-[(6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)amino]butan-1-ol
CID 104980580
6-fluoro-1,1-dioxo-3,4-dihydro-2H-thiochromene-4-carboxylic acid
CID 84704436
6-fluoro-N-(4-methylpentan-2-yl)-1,1-dioxo-3,4-dihydro-2H-thiochromen-4-amine
CID 43440318
N-ethyl-6-fluoro-1,1-dioxo-4-(trifluoromethyl)-2,3-dihydrothiochromen-4-amine
CID 66204552

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-(2-methylpentan-2-yl)-3,4-dihydro-2H-thiochromene 1,1-dioxide?
The IUPAC name of 7-fluoro-4-(2-methylpentan-2-yl)-3,4-dihydro-2H-thiochromene 1,1-dioxide (CID 137434693) is 7-fluoro-4-(2-methylpentan-2-yl)-3,4-dihydro-2H-thiochromene 1,1-dioxide.
What is the SMILES notation for 7-fluoro-4-(2-methylpentan-2-yl)-3,4-dihydro-2H-thiochromene 1,1-dioxide?
The canonical SMILES for 7-fluoro-4-(2-methylpentan-2-yl)-3,4-dihydro-2H-thiochromene 1,1-dioxide is CCCC(C)(C)C1CCS(=O)(=O)c2cc(F)ccc21.
What is the InChIKey of 7-fluoro-4-(2-methylpentan-2-yl)-3,4-dihydro-2H-thiochromene 1,1-dioxide?
The InChIKey is NLQAPZCMJOUDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FO2S/c1-4-8-15(2,3)13-7-9-19(17,18)14-10-11(16)5-6-12(13)14/h5-6,10,13H,4,7-9H2,1-3H3.
What are the key properties of 7-fluoro-4-(2-methylpentan-2-yl)-3,4-dihydro-2H-thiochromene 1,1-dioxide?
7-fluoro-4-(2-methylpentan-2-yl)-3,4-dihydro-2H-thiochromene 1,1-dioxide has a molecular weight of 284.40 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-(2-methylpentan-2-yl)-3,4-dihydro-2H-thiochromene 1,1-dioxide is sourced from PubChem (CID 137434693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).