6-fluoro-N,N-dipropyl-3,4-dihydro-2H-thiochromen-3-amine

C15H22FNS — CID 14330465

IUPAC6-fluoro-N,N-dipropyl-3,4-dihydro-2H-thiochromen-3-amine
SMILESCCCN(CCC)C1CSc2ccc(F)cc2C1
InChIInChI=1S/C15H22FNS/c1-3-7-17(8-4-2)14-10-12-9-13(16)5-6-15(12)18-11-14/h5-6,9,14H,3-4,7-8,10-11H2,1-2H3
InChIKeyCKCLGXSDKOZUIF-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.96
Rot. Bonds5

About 6-fluoro-N,N-dipropyl-3,4-dihydro-2H-thiochromen-3-amine

6-fluoro-N,N-dipropyl-3,4-dihydro-2H-thiochromen-3-amine (PubChem CID 14330465) has the molecular formula C15H22FNS and a molecular weight of 267.41 g/mol. Its IUPAC name is 6-fluoro-N,N-dipropyl-3,4-dihydro-2H-thiochromen-3-amine.

Molecular Properties

Compound Name6-fluoro-N,N-dipropyl-3,4-dihydro-2H-thiochromen-3-amine
PubChem CID14330465
Molecular FormulaC15H22FNS
Molecular Weight267.41 g/mol
Exact Mass267.15
IUPAC Name6-fluoro-N,N-dipropyl-3,4-dihydro-2H-thiochromen-3-amine
SMILESCCCN(CCC)C1CSc2ccc(F)cc2C1
InChIInChI=1S/C15H22FNS/c1-3-7-17(8-4-2)14-10-12-9-13(16)5-6-15(12)18-11-14/h5-6,9,14H,3-4,7-8,10-11H2,1-2H3
InChIKeyCKCLGXSDKOZUIF-UHFFFAOYSA-N
XLogP3.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N,N-dipropyl-3,4-dihydro-2H-thiochromen-3-amine?
The IUPAC name of 6-fluoro-N,N-dipropyl-3,4-dihydro-2H-thiochromen-3-amine (CID 14330465) is 6-fluoro-N,N-dipropyl-3,4-dihydro-2H-thiochromen-3-amine.
What is the SMILES notation for 6-fluoro-N,N-dipropyl-3,4-dihydro-2H-thiochromen-3-amine?
The canonical SMILES for 6-fluoro-N,N-dipropyl-3,4-dihydro-2H-thiochromen-3-amine is CCCN(CCC)C1CSc2ccc(F)cc2C1.
What is the InChIKey of 6-fluoro-N,N-dipropyl-3,4-dihydro-2H-thiochromen-3-amine?
The InChIKey is CKCLGXSDKOZUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNS/c1-3-7-17(8-4-2)14-10-12-9-13(16)5-6-15(12)18-11-14/h5-6,9,14H,3-4,7-8,10-11H2,1-2H3.
What are the key properties of 6-fluoro-N,N-dipropyl-3,4-dihydro-2H-thiochromen-3-amine?
6-fluoro-N,N-dipropyl-3,4-dihydro-2H-thiochromen-3-amine has a molecular weight of 267.41 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N,N-dipropyl-3,4-dihydro-2H-thiochromen-3-amine is sourced from PubChem (CID 14330465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).