2-[4-(5,5-difluoro-2,3-dimethyl-6,7-dihydro-4H-indol-1-yl)phenyl]acetic acid

C18H19F2NO2 — CID 138393074

IUPAC2-[4-(5,5-difluoro-2,3-dimethyl-6,7-dihydro-4H-indol-1-yl)phenyl]acetic acid
SMILESCc1c2c(n(-c3ccc(CC(=O)O)cc3)c1C)CCC(F)(F)C2
InChIInChI=1S/C18H19F2NO2/c1-11-12(2)21(16-7-8-18(19,20)10-15(11)16)14-5-3-13(4-6-14)9-17(22)23/h3-6H,7-10H2,1-2H3,(H,22,23)
InChIKeyHGCBSPPZJAZLDQ-UHFFFAOYSA-N
MW319.35 g/mol
LogP3.85
Rot. Bonds3

About 2-[4-(5,5-difluoro-2,3-dimethyl-6,7-dihydro-4H-indol-1-yl)phenyl]acetic acid

2-[4-(5,5-difluoro-2,3-dimethyl-6,7-dihydro-4H-indol-1-yl)phenyl]acetic acid (PubChem CID 138393074) has the molecular formula C18H19F2NO2 and a molecular weight of 319.35 g/mol. Its IUPAC name is 2-[4-(5,5-difluoro-2,3-dimethyl-6,7-dihydro-4H-indol-1-yl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(5,5-difluoro-2,3-dimethyl-6,7-dihydro-4H-indol-1-yl)phenyl]acetic acid
PubChem CID138393074
Molecular FormulaC18H19F2NO2
Molecular Weight319.35 g/mol
Exact Mass319.14
IUPAC Name2-[4-(5,5-difluoro-2,3-dimethyl-6,7-dihydro-4H-indol-1-yl)phenyl]acetic acid
SMILESCc1c2c(n(-c3ccc(CC(=O)O)cc3)c1C)CCC(F)(F)C2
InChIInChI=1S/C18H19F2NO2/c1-11-12(2)21(16-7-8-18(19,20)10-15(11)16)14-5-3-13(4-6-14)9-17(22)23/h3-6H,7-10H2,1-2H3,(H,22,23)
InChIKeyHGCBSPPZJAZLDQ-UHFFFAOYSA-N
XLogP3.85
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5,5-difluoro-2,3-dimethyl-6,7-dihydro-4H-indol-1-yl)phenyl]acetic acid?
The IUPAC name of 2-[4-(5,5-difluoro-2,3-dimethyl-6,7-dihydro-4H-indol-1-yl)phenyl]acetic acid (CID 138393074) is 2-[4-(5,5-difluoro-2,3-dimethyl-6,7-dihydro-4H-indol-1-yl)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(5,5-difluoro-2,3-dimethyl-6,7-dihydro-4H-indol-1-yl)phenyl]acetic acid?
The canonical SMILES for 2-[4-(5,5-difluoro-2,3-dimethyl-6,7-dihydro-4H-indol-1-yl)phenyl]acetic acid is Cc1c2c(n(-c3ccc(CC(=O)O)cc3)c1C)CCC(F)(F)C2.
What is the InChIKey of 2-[4-(5,5-difluoro-2,3-dimethyl-6,7-dihydro-4H-indol-1-yl)phenyl]acetic acid?
The InChIKey is HGCBSPPZJAZLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO2/c1-11-12(2)21(16-7-8-18(19,20)10-15(11)16)14-5-3-13(4-6-14)9-17(22)23/h3-6H,7-10H2,1-2H3,(H,22,23).
What are the key properties of 2-[4-(5,5-difluoro-2,3-dimethyl-6,7-dihydro-4H-indol-1-yl)phenyl]acetic acid?
2-[4-(5,5-difluoro-2,3-dimethyl-6,7-dihydro-4H-indol-1-yl)phenyl]acetic acid has a molecular weight of 319.35 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5,5-difluoro-2,3-dimethyl-6,7-dihydro-4H-indol-1-yl)phenyl]acetic acid is sourced from PubChem (CID 138393074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).