6-chloro-N-(6,6,6-trifluorohexan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine

C15H19ClF3NS — CID 116534400

IUPAC6-chloro-N-(6,6,6-trifluorohexan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine
SMILESCC(CCCC(F)(F)F)NC1CCSc2ccc(Cl)cc21
InChIInChI=1S/C15H19ClF3NS/c1-10(3-2-7-15(17,18)19)20-13-6-8-21-14-5-4-11(16)9-12(13)14/h4-5,9-10,13,20H,2-3,6-8H2,1H3
InChIKeyZEAVYLWHUDQWDZ-UHFFFAOYSA-N
MW337.84 g/mol
LogP5.59
Rot. Bonds5

About 6-chloro-N-(6,6,6-trifluorohexan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine

6-chloro-N-(6,6,6-trifluorohexan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 116534400) has the molecular formula C15H19ClF3NS and a molecular weight of 337.84 g/mol. Its IUPAC name is 6-chloro-N-(6,6,6-trifluorohexan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound Name6-chloro-N-(6,6,6-trifluorohexan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID116534400
Molecular FormulaC15H19ClF3NS
Molecular Weight337.84 g/mol
Exact Mass337.09
IUPAC Name6-chloro-N-(6,6,6-trifluorohexan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine
SMILESCC(CCCC(F)(F)F)NC1CCSc2ccc(Cl)cc21
InChIInChI=1S/C15H19ClF3NS/c1-10(3-2-7-15(17,18)19)20-13-6-8-21-14-5-4-11(16)9-12(13)14/h4-5,9-10,13,20H,2-3,6-8H2,1H3
InChIKeyZEAVYLWHUDQWDZ-UHFFFAOYSA-N
XLogP5.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.84
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-chloro-N-(6,6,6-trifluorohexan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine with MolForge

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Launch Full Analysis

Related Compounds

6-chloro-N-(3,3-dimethylbutan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine
CID 113457741
6-chloro-N-(1-methylsulfonylpropan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine
CID 64629732
6-chloro-N-(3-methylbutan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine
CID 43723344
6-chloro-N-(2-methylpentan-3-yl)-3,4-dihydro-2H-thiochromen-4-amine
CID 43786670
(4S)-6-chloro-N-[(2R)-4-(1,2,4-triazol-1-yl)butan-2-yl]-3,4-dihydro-2H-thiochromen-4-amine
CID 97230812
6-fluoro-N-nonan-2-yl-3,4-dihydro-2H-thiochromen-4-amine
CID 43685544
2-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-N-propan-2-ylpropanamide
CID 115575495
4-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)amino]-3-methylbutan-1-ol
CID 66091972
N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-2,2,2-trifluoroacetamide
CID 62492313
6-chloro-N-(1-imidazol-1-ylpropan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine
CID 43791978
6-chloro-N-hex-1-yn-3-yl-3,4-dihydro-2H-thiochromen-4-amine
CID 114160918
4-N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-5-methoxypentane-1,4-diamine
CID 103388565

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(6,6,6-trifluorohexan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of 6-chloro-N-(6,6,6-trifluorohexan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine (CID 116534400) is 6-chloro-N-(6,6,6-trifluorohexan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for 6-chloro-N-(6,6,6-trifluorohexan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for 6-chloro-N-(6,6,6-trifluorohexan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine is CC(CCCC(F)(F)F)NC1CCSc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-N-(6,6,6-trifluorohexan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is ZEAVYLWHUDQWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClF3NS/c1-10(3-2-7-15(17,18)19)20-13-6-8-21-14-5-4-11(16)9-12(13)14/h4-5,9-10,13,20H,2-3,6-8H2,1H3.
What are the key properties of 6-chloro-N-(6,6,6-trifluorohexan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine?
6-chloro-N-(6,6,6-trifluorohexan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 337.84 g/mol, XLogP of 5.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(6,6,6-trifluorohexan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 116534400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).