7-ethyl-3-fluoro-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene

C22H16F4O — CID 139884381

IUPAC7-ethyl-3-fluoro-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene
SMILESCCc1ccc2c(c1)Cc1cc(-c3ccc(OC(F)(F)F)cc3)c(F)cc1-2
InChIInChI=1S/C22H16F4O/c1-2-13-3-8-18-15(9-13)10-16-11-20(21(23)12-19(16)18)14-4-6-17(7-5-14)27-22(24,25)26/h3-9,11-12H,2,10H2,1H3
InChIKeyXZCXKCYSUGNIBP-UHFFFAOYSA-N
MW372.36 g/mol
LogP6.52
Rot. Bonds3

About 7-ethyl-3-fluoro-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene

7-ethyl-3-fluoro-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene (PubChem CID 139884381) has the molecular formula C22H16F4O and a molecular weight of 372.36 g/mol. Its IUPAC name is 7-ethyl-3-fluoro-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene.

Molecular Properties

Compound Name7-ethyl-3-fluoro-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene
PubChem CID139884381
Molecular FormulaC22H16F4O
Molecular Weight372.36 g/mol
Exact Mass372.11
IUPAC Name7-ethyl-3-fluoro-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene
SMILESCCc1ccc2c(c1)Cc1cc(-c3ccc(OC(F)(F)F)cc3)c(F)cc1-2
InChIInChI=1S/C22H16F4O/c1-2-13-3-8-18-15(9-13)10-16-11-20(21(23)12-19(16)18)14-4-6-17(7-5-14)27-22(24,25)26/h3-9,11-12H,2,10H2,1H3
InChIKeyXZCXKCYSUGNIBP-UHFFFAOYSA-N
XLogP6.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.36
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-3-fluoro-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene?
The IUPAC name of 7-ethyl-3-fluoro-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene (CID 139884381) is 7-ethyl-3-fluoro-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene.
What is the SMILES notation for 7-ethyl-3-fluoro-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene?
The canonical SMILES for 7-ethyl-3-fluoro-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene is CCc1ccc2c(c1)Cc1cc(-c3ccc(OC(F)(F)F)cc3)c(F)cc1-2.
What is the InChIKey of 7-ethyl-3-fluoro-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene?
The InChIKey is XZCXKCYSUGNIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F4O/c1-2-13-3-8-18-15(9-13)10-16-11-20(21(23)12-19(16)18)14-4-6-17(7-5-14)27-22(24,25)26/h3-9,11-12H,2,10H2,1H3.
What are the key properties of 7-ethyl-3-fluoro-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene?
7-ethyl-3-fluoro-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene has a molecular weight of 372.36 g/mol, XLogP of 6.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-3-fluoro-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene is sourced from PubChem (CID 139884381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).