2-[4-(difluoromethoxy)phenyl]-7-ethyl-1,3-difluoro-9H-fluorene

C22H16F4O — CID 139884145

IUPAC2-[4-(difluoromethoxy)phenyl]-7-ethyl-1,3-difluoro-9H-fluorene
SMILESCCc1ccc2c(c1)Cc1c-2cc(F)c(-c2ccc(OC(F)F)cc2)c1F
InChIInChI=1S/C22H16F4O/c1-2-12-3-8-16-14(9-12)10-18-17(16)11-19(23)20(21(18)24)13-4-6-15(7-5-13)27-22(25)26/h3-9,11,22H,2,10H2,1H3
InChIKeyXNNVZAAGRGGYSH-UHFFFAOYSA-N
MW372.36 g/mol
LogP6.37
Rot. Bonds4

About 2-[4-(difluoromethoxy)phenyl]-7-ethyl-1,3-difluoro-9H-fluorene

2-[4-(difluoromethoxy)phenyl]-7-ethyl-1,3-difluoro-9H-fluorene (PubChem CID 139884145) has the molecular formula C22H16F4O and a molecular weight of 372.36 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)phenyl]-7-ethyl-1,3-difluoro-9H-fluorene.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)phenyl]-7-ethyl-1,3-difluoro-9H-fluorene
PubChem CID139884145
Molecular FormulaC22H16F4O
Molecular Weight372.36 g/mol
Exact Mass372.11
IUPAC Name2-[4-(difluoromethoxy)phenyl]-7-ethyl-1,3-difluoro-9H-fluorene
SMILESCCc1ccc2c(c1)Cc1c-2cc(F)c(-c2ccc(OC(F)F)cc2)c1F
InChIInChI=1S/C22H16F4O/c1-2-12-3-8-16-14(9-12)10-18-17(16)11-19(23)20(21(18)24)13-4-6-15(7-5-13)27-22(25)26/h3-9,11,22H,2,10H2,1H3
InChIKeyXNNVZAAGRGGYSH-UHFFFAOYSA-N
XLogP6.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.36
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)phenyl]-7-ethyl-1,3-difluoro-9H-fluorene?
The IUPAC name of 2-[4-(difluoromethoxy)phenyl]-7-ethyl-1,3-difluoro-9H-fluorene (CID 139884145) is 2-[4-(difluoromethoxy)phenyl]-7-ethyl-1,3-difluoro-9H-fluorene.
What is the SMILES notation for 2-[4-(difluoromethoxy)phenyl]-7-ethyl-1,3-difluoro-9H-fluorene?
The canonical SMILES for 2-[4-(difluoromethoxy)phenyl]-7-ethyl-1,3-difluoro-9H-fluorene is CCc1ccc2c(c1)Cc1c-2cc(F)c(-c2ccc(OC(F)F)cc2)c1F.
What is the InChIKey of 2-[4-(difluoromethoxy)phenyl]-7-ethyl-1,3-difluoro-9H-fluorene?
The InChIKey is XNNVZAAGRGGYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F4O/c1-2-12-3-8-16-14(9-12)10-18-17(16)11-19(23)20(21(18)24)13-4-6-15(7-5-13)27-22(25)26/h3-9,11,22H,2,10H2,1H3.
What are the key properties of 2-[4-(difluoromethoxy)phenyl]-7-ethyl-1,3-difluoro-9H-fluorene?
2-[4-(difluoromethoxy)phenyl]-7-ethyl-1,3-difluoro-9H-fluorene has a molecular weight of 372.36 g/mol, XLogP of 6.37, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)phenyl]-7-ethyl-1,3-difluoro-9H-fluorene is sourced from PubChem (CID 139884145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).