4-[4-(3-fluoro-1-methoxypropyl)phenyl]-3,6-dihydro-2H-thiopyran

C15H19FOS — CID 129313581

IUPAC4-[4-(3-fluoro-1-methoxypropyl)phenyl]-3,6-dihydro-2H-thiopyran
SMILESCOC(CCF)c1ccc(C2=CCSCC2)cc1
InChIInChI=1S/C15H19FOS/c1-17-15(6-9-16)14-4-2-12(3-5-14)13-7-10-18-11-8-13/h2-5,7,15H,6,8-11H2,1H3
InChIKeyWAPFAELDXANEFU-UHFFFAOYSA-N
MW266.38 g/mol
LogP4.25
Rot. Bonds5

About 4-[4-(3-fluoro-1-methoxypropyl)phenyl]-3,6-dihydro-2H-thiopyran

4-[4-(3-fluoro-1-methoxypropyl)phenyl]-3,6-dihydro-2H-thiopyran (PubChem CID 129313581) has the molecular formula C15H19FOS and a molecular weight of 266.38 g/mol. Its IUPAC name is 4-[4-(3-fluoro-1-methoxypropyl)phenyl]-3,6-dihydro-2H-thiopyran.

Molecular Properties

Compound Name4-[4-(3-fluoro-1-methoxypropyl)phenyl]-3,6-dihydro-2H-thiopyran
PubChem CID129313581
Molecular FormulaC15H19FOS
Molecular Weight266.38 g/mol
Exact Mass266.11
IUPAC Name4-[4-(3-fluoro-1-methoxypropyl)phenyl]-3,6-dihydro-2H-thiopyran
SMILESCOC(CCF)c1ccc(C2=CCSCC2)cc1
InChIInChI=1S/C15H19FOS/c1-17-15(6-9-16)14-4-2-12(3-5-14)13-7-10-18-11-8-13/h2-5,7,15H,6,8-11H2,1H3
InChIKeyWAPFAELDXANEFU-UHFFFAOYSA-N
XLogP4.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-fluoro-1-methoxypropyl)phenyl]-3,6-dihydro-2H-thiopyran?
The IUPAC name of 4-[4-(3-fluoro-1-methoxypropyl)phenyl]-3,6-dihydro-2H-thiopyran (CID 129313581) is 4-[4-(3-fluoro-1-methoxypropyl)phenyl]-3,6-dihydro-2H-thiopyran.
What is the SMILES notation for 4-[4-(3-fluoro-1-methoxypropyl)phenyl]-3,6-dihydro-2H-thiopyran?
The canonical SMILES for 4-[4-(3-fluoro-1-methoxypropyl)phenyl]-3,6-dihydro-2H-thiopyran is COC(CCF)c1ccc(C2=CCSCC2)cc1.
What is the InChIKey of 4-[4-(3-fluoro-1-methoxypropyl)phenyl]-3,6-dihydro-2H-thiopyran?
The InChIKey is WAPFAELDXANEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FOS/c1-17-15(6-9-16)14-4-2-12(3-5-14)13-7-10-18-11-8-13/h2-5,7,15H,6,8-11H2,1H3.
What are the key properties of 4-[4-(3-fluoro-1-methoxypropyl)phenyl]-3,6-dihydro-2H-thiopyran?
4-[4-(3-fluoro-1-methoxypropyl)phenyl]-3,6-dihydro-2H-thiopyran has a molecular weight of 266.38 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-fluoro-1-methoxypropyl)phenyl]-3,6-dihydro-2H-thiopyran is sourced from PubChem (CID 129313581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).