1-fluoro-4-[(1-methoxycyclohexa-2,4-dien-1-yl)methylsulfanyl]benzene

C14H15FOS — CID 150256500

IUPAC1-fluoro-4-[(1-methoxycyclohexa-2,4-dien-1-yl)methylsulfanyl]benzene
SMILESCOC1(CSc2ccc(F)cc2)C=CC=CC1
InChIInChI=1S/C14H15FOS/c1-16-14(9-3-2-4-10-14)11-17-13-7-5-12(15)6-8-13/h2-9H,10-11H2,1H3
InChIKeyGARBFJJYHKGYIM-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.82
Rot. Bonds4

About 1-fluoro-4-[(1-methoxycyclohexa-2,4-dien-1-yl)methylsulfanyl]benzene

1-fluoro-4-[(1-methoxycyclohexa-2,4-dien-1-yl)methylsulfanyl]benzene (PubChem CID 150256500) has the molecular formula C14H15FOS and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-fluoro-4-[(1-methoxycyclohexa-2,4-dien-1-yl)methylsulfanyl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[(1-methoxycyclohexa-2,4-dien-1-yl)methylsulfanyl]benzene
PubChem CID150256500
Molecular FormulaC14H15FOS
Molecular Weight250.34 g/mol
Exact Mass250.08
IUPAC Name1-fluoro-4-[(1-methoxycyclohexa-2,4-dien-1-yl)methylsulfanyl]benzene
SMILESCOC1(CSc2ccc(F)cc2)C=CC=CC1
InChIInChI=1S/C14H15FOS/c1-16-14(9-3-2-4-10-14)11-17-13-7-5-12(15)6-8-13/h2-9H,10-11H2,1H3
InChIKeyGARBFJJYHKGYIM-UHFFFAOYSA-N
XLogP3.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[(1-methoxycyclohexa-2,4-dien-1-yl)methylsulfanyl]benzene?
The IUPAC name of 1-fluoro-4-[(1-methoxycyclohexa-2,4-dien-1-yl)methylsulfanyl]benzene (CID 150256500) is 1-fluoro-4-[(1-methoxycyclohexa-2,4-dien-1-yl)methylsulfanyl]benzene.
What is the SMILES notation for 1-fluoro-4-[(1-methoxycyclohexa-2,4-dien-1-yl)methylsulfanyl]benzene?
The canonical SMILES for 1-fluoro-4-[(1-methoxycyclohexa-2,4-dien-1-yl)methylsulfanyl]benzene is COC1(CSc2ccc(F)cc2)C=CC=CC1.
What is the InChIKey of 1-fluoro-4-[(1-methoxycyclohexa-2,4-dien-1-yl)methylsulfanyl]benzene?
The InChIKey is GARBFJJYHKGYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FOS/c1-16-14(9-3-2-4-10-14)11-17-13-7-5-12(15)6-8-13/h2-9H,10-11H2,1H3.
What are the key properties of 1-fluoro-4-[(1-methoxycyclohexa-2,4-dien-1-yl)methylsulfanyl]benzene?
1-fluoro-4-[(1-methoxycyclohexa-2,4-dien-1-yl)methylsulfanyl]benzene has a molecular weight of 250.34 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[(1-methoxycyclohexa-2,4-dien-1-yl)methylsulfanyl]benzene is sourced from PubChem (CID 150256500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).