8-fluoro-7-(trifluoromethyl)-3,4-dihydro-2H-chromene

C10H8F4O — CID 71065566

IUPAC8-fluoro-7-(trifluoromethyl)-3,4-dihydro-2H-chromene
SMILESFc1c(C(F)(F)F)ccc2c1OCCC2
InChIInChI=1S/C10H8F4O/c11-8-7(10(12,13)14)4-3-6-2-1-5-15-9(6)8/h3-4H,1-2,5H2
InChIKeyWJVRQTNNENEYCU-UHFFFAOYSA-N
MW220.16 g/mol
LogP3.17
Rot. Bonds

About 8-fluoro-7-(trifluoromethyl)-3,4-dihydro-2H-chromene

8-fluoro-7-(trifluoromethyl)-3,4-dihydro-2H-chromene (PubChem CID 71065566) has the molecular formula C10H8F4O and a molecular weight of 220.16 g/mol. Its IUPAC name is 8-fluoro-7-(trifluoromethyl)-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name8-fluoro-7-(trifluoromethyl)-3,4-dihydro-2H-chromene
PubChem CID71065566
Molecular FormulaC10H8F4O
Molecular Weight220.16 g/mol
Exact Mass220.05
IUPAC Name8-fluoro-7-(trifluoromethyl)-3,4-dihydro-2H-chromene
SMILESFc1c(C(F)(F)F)ccc2c1OCCC2
InChIInChI=1S/C10H8F4O/c11-8-7(10(12,13)14)4-3-6-2-1-5-15-9(6)8/h3-4H,1-2,5H2
InChIKeyWJVRQTNNENEYCU-UHFFFAOYSA-N
XLogP3.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.16
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-7-(trifluoromethyl)-3,4-dihydro-2H-chromene?
The IUPAC name of 8-fluoro-7-(trifluoromethyl)-3,4-dihydro-2H-chromene (CID 71065566) is 8-fluoro-7-(trifluoromethyl)-3,4-dihydro-2H-chromene.
What is the SMILES notation for 8-fluoro-7-(trifluoromethyl)-3,4-dihydro-2H-chromene?
The canonical SMILES for 8-fluoro-7-(trifluoromethyl)-3,4-dihydro-2H-chromene is Fc1c(C(F)(F)F)ccc2c1OCCC2.
What is the InChIKey of 8-fluoro-7-(trifluoromethyl)-3,4-dihydro-2H-chromene?
The InChIKey is WJVRQTNNENEYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F4O/c11-8-7(10(12,13)14)4-3-6-2-1-5-15-9(6)8/h3-4H,1-2,5H2.
What are the key properties of 8-fluoro-7-(trifluoromethyl)-3,4-dihydro-2H-chromene?
8-fluoro-7-(trifluoromethyl)-3,4-dihydro-2H-chromene has a molecular weight of 220.16 g/mol, XLogP of 3.17, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-7-(trifluoromethyl)-3,4-dihydro-2H-chromene is sourced from PubChem (CID 71065566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).