(7R)-4,7-difluoro-7-propan-2-yl-6,8-dihydro-5H-acridine-2-carboxylic acid

C17H17F2NO2 — CID 155319972

IUPAC(7R)-4,7-difluoro-7-propan-2-yl-6,8-dihydro-5H-acridine-2-carboxylic acid
SMILESCC(C)[C@@]1(F)CCc2nc3c(F)cc(C(=O)O)cc3cc2C1
InChIInChI=1S/C17H17F2NO2/c1-9(2)17(19)4-3-14-12(8-17)6-10-5-11(16(21)22)7-13(18)15(10)20-14/h5-7,9H,3-4,8H2,1-2H3,(H,21,22)/t17-/m1/s1
InChIKeyHEJBRGUODANZHN-QGZVFWFLSA-N
MW305.32 g/mol
LogP3.93
Rot. Bonds2

About (7R)-4,7-difluoro-7-propan-2-yl-6,8-dihydro-5H-acridine-2-carboxylic acid

(7R)-4,7-difluoro-7-propan-2-yl-6,8-dihydro-5H-acridine-2-carboxylic acid (PubChem CID 155319972) has the molecular formula C17H17F2NO2 and a molecular weight of 305.32 g/mol. Its IUPAC name is (7R)-4,7-difluoro-7-propan-2-yl-6,8-dihydro-5H-acridine-2-carboxylic acid.

Molecular Properties

Compound Name(7R)-4,7-difluoro-7-propan-2-yl-6,8-dihydro-5H-acridine-2-carboxylic acid
PubChem CID155319972
Molecular FormulaC17H17F2NO2
Molecular Weight305.32 g/mol
Exact Mass305.12
IUPAC Name(7R)-4,7-difluoro-7-propan-2-yl-6,8-dihydro-5H-acridine-2-carboxylic acid
SMILESCC(C)[C@@]1(F)CCc2nc3c(F)cc(C(=O)O)cc3cc2C1
InChIInChI=1S/C17H17F2NO2/c1-9(2)17(19)4-3-14-12(8-17)6-10-5-11(16(21)22)7-13(18)15(10)20-14/h5-7,9H,3-4,8H2,1-2H3,(H,21,22)/t17-/m1/s1
InChIKeyHEJBRGUODANZHN-QGZVFWFLSA-N
XLogP3.93
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7R)-4,7-difluoro-7-propan-2-yl-6,8-dihydro-5H-acridine-2-carboxylic acid?
The IUPAC name of (7R)-4,7-difluoro-7-propan-2-yl-6,8-dihydro-5H-acridine-2-carboxylic acid (CID 155319972) is (7R)-4,7-difluoro-7-propan-2-yl-6,8-dihydro-5H-acridine-2-carboxylic acid.
What is the SMILES notation for (7R)-4,7-difluoro-7-propan-2-yl-6,8-dihydro-5H-acridine-2-carboxylic acid?
The canonical SMILES for (7R)-4,7-difluoro-7-propan-2-yl-6,8-dihydro-5H-acridine-2-carboxylic acid is CC(C)[C@@]1(F)CCc2nc3c(F)cc(C(=O)O)cc3cc2C1.
What is the InChIKey of (7R)-4,7-difluoro-7-propan-2-yl-6,8-dihydro-5H-acridine-2-carboxylic acid?
The InChIKey is HEJBRGUODANZHN-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H17F2NO2/c1-9(2)17(19)4-3-14-12(8-17)6-10-5-11(16(21)22)7-13(18)15(10)20-14/h5-7,9H,3-4,8H2,1-2H3,(H,21,22)/t17-/m1/s1.
What are the key properties of (7R)-4,7-difluoro-7-propan-2-yl-6,8-dihydro-5H-acridine-2-carboxylic acid?
(7R)-4,7-difluoro-7-propan-2-yl-6,8-dihydro-5H-acridine-2-carboxylic acid has a molecular weight of 305.32 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-4,7-difluoro-7-propan-2-yl-6,8-dihydro-5H-acridine-2-carboxylic acid is sourced from PubChem (CID 155319972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).