2-(1-ethyl-6-fluoro-4-phenylcyclohexa-2,4-dien-1-yl)thiophene

C18H17FS — CID 174611653

IUPAC2-(1-ethyl-6-fluoro-4-phenylcyclohexa-2,4-dien-1-yl)thiophene
SMILESCCC1(c2cccs2)C=CC(c2ccccc2)=CC1F
InChIInChI=1S/C18H17FS/c1-2-18(17-9-6-12-20-17)11-10-15(13-16(18)19)14-7-4-3-5-8-14/h3-13,16H,2H2,1H3
InChIKeyGQWZDVMMJXNTME-UHFFFAOYSA-N
MW284.40 g/mol
LogP5.39
Rot. Bonds3

About 2-(1-ethyl-6-fluoro-4-phenylcyclohexa-2,4-dien-1-yl)thiophene

2-(1-ethyl-6-fluoro-4-phenylcyclohexa-2,4-dien-1-yl)thiophene (PubChem CID 174611653) has the molecular formula C18H17FS and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-(1-ethyl-6-fluoro-4-phenylcyclohexa-2,4-dien-1-yl)thiophene.

Molecular Properties

Compound Name2-(1-ethyl-6-fluoro-4-phenylcyclohexa-2,4-dien-1-yl)thiophene
PubChem CID174611653
Molecular FormulaC18H17FS
Molecular Weight284.40 g/mol
Exact Mass284.10
IUPAC Name2-(1-ethyl-6-fluoro-4-phenylcyclohexa-2,4-dien-1-yl)thiophene
SMILESCCC1(c2cccs2)C=CC(c2ccccc2)=CC1F
InChIInChI=1S/C18H17FS/c1-2-18(17-9-6-12-20-17)11-10-15(13-16(18)19)14-7-4-3-5-8-14/h3-13,16H,2H2,1H3
InChIKeyGQWZDVMMJXNTME-UHFFFAOYSA-N
XLogP5.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.40
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-6-fluoro-4-phenylcyclohexa-2,4-dien-1-yl)thiophene?
The IUPAC name of 2-(1-ethyl-6-fluoro-4-phenylcyclohexa-2,4-dien-1-yl)thiophene (CID 174611653) is 2-(1-ethyl-6-fluoro-4-phenylcyclohexa-2,4-dien-1-yl)thiophene.
What is the SMILES notation for 2-(1-ethyl-6-fluoro-4-phenylcyclohexa-2,4-dien-1-yl)thiophene?
The canonical SMILES for 2-(1-ethyl-6-fluoro-4-phenylcyclohexa-2,4-dien-1-yl)thiophene is CCC1(c2cccs2)C=CC(c2ccccc2)=CC1F.
What is the InChIKey of 2-(1-ethyl-6-fluoro-4-phenylcyclohexa-2,4-dien-1-yl)thiophene?
The InChIKey is GQWZDVMMJXNTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FS/c1-2-18(17-9-6-12-20-17)11-10-15(13-16(18)19)14-7-4-3-5-8-14/h3-13,16H,2H2,1H3.
What are the key properties of 2-(1-ethyl-6-fluoro-4-phenylcyclohexa-2,4-dien-1-yl)thiophene?
2-(1-ethyl-6-fluoro-4-phenylcyclohexa-2,4-dien-1-yl)thiophene has a molecular weight of 284.40 g/mol, XLogP of 5.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-6-fluoro-4-phenylcyclohexa-2,4-dien-1-yl)thiophene is sourced from PubChem (CID 174611653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).