(1R)-4,6-difluoro-2,3-dihydro-1H-indene-1-carboxylic acid

C10H8F2O2 — CID 130665257

IUPAC(1R)-4,6-difluoro-2,3-dihydro-1H-indene-1-carboxylic acid
SMILESO=C(O)[C@@H]1CCc2c(F)cc(F)cc21
InChIInChI=1S/C10H8F2O2/c11-5-3-8-6(9(12)4-5)1-2-7(8)10(13)14/h3-4,7H,1-2H2,(H,13,14)/t7-/m1/s1
InChIKeyXMBQPAGXERQWLB-SSDOTTSWSA-N
MW198.17 g/mol
LogP2.08
Rot. Bonds1

About (1R)-4,6-difluoro-2,3-dihydro-1H-indene-1-carboxylic acid

(1R)-4,6-difluoro-2,3-dihydro-1H-indene-1-carboxylic acid (PubChem CID 130665257) has the molecular formula C10H8F2O2 and a molecular weight of 198.17 g/mol. Its IUPAC name is (1R)-4,6-difluoro-2,3-dihydro-1H-indene-1-carboxylic acid.

Molecular Properties

Compound Name(1R)-4,6-difluoro-2,3-dihydro-1H-indene-1-carboxylic acid
PubChem CID130665257
Molecular FormulaC10H8F2O2
Molecular Weight198.17 g/mol
Exact Mass198.05
IUPAC Name(1R)-4,6-difluoro-2,3-dihydro-1H-indene-1-carboxylic acid
SMILESO=C(O)[C@@H]1CCc2c(F)cc(F)cc21
InChIInChI=1S/C10H8F2O2/c11-5-3-8-6(9(12)4-5)1-2-7(8)10(13)14/h3-4,7H,1-2H2,(H,13,14)/t7-/m1/s1
InChIKeyXMBQPAGXERQWLB-SSDOTTSWSA-N
XLogP2.08
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.17
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
CID 84790871
5,7-difluoro-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 177309525
4-[[(1S)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl]amino]cyclohexane-1-carboxylic acid
CID 122034893
6,8-difluoro-2-methyl-3,4,4a,9,10,10a-hexahydro-2H-phenanthren-1-one
CID 59889703
(1R,1aR,6aR)-3,5-difluoro-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid
CID 125454821
5-fluoro-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
CID 83685405
2-[(1R)-4,6-difluoro-2,3-dihydro-1H-inden-1-yl]-1,3-thiazole-5-carboxamide
CID 140712027
(5S)-1,3-difluoro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 79014382
N-[(1S)-5,7-difluoro-1-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-2,2,2-trifluoroacetamide
CID 22855167
3-bromo-2,4,5,6-tetrahydrocyclopenta[c]pyrrole-6-carboxylic acid
CID 83911522
3-(4,6-difluoro-2,3-dihydro-1H-inden-1-yl)-1-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2,4-dioxo-1,3-diazinane-5-carboxylic acid
CID 131709477
(1S)-1-amino-6-fluoro-2,3-dihydro-1H-indene-4-carboxylic acid
CID 131095589

Frequently Asked Questions

What is the IUPAC name of (1R)-4,6-difluoro-2,3-dihydro-1H-indene-1-carboxylic acid?
The IUPAC name of (1R)-4,6-difluoro-2,3-dihydro-1H-indene-1-carboxylic acid (CID 130665257) is (1R)-4,6-difluoro-2,3-dihydro-1H-indene-1-carboxylic acid.
What is the SMILES notation for (1R)-4,6-difluoro-2,3-dihydro-1H-indene-1-carboxylic acid?
The canonical SMILES for (1R)-4,6-difluoro-2,3-dihydro-1H-indene-1-carboxylic acid is O=C(O)[C@@H]1CCc2c(F)cc(F)cc21.
What is the InChIKey of (1R)-4,6-difluoro-2,3-dihydro-1H-indene-1-carboxylic acid?
The InChIKey is XMBQPAGXERQWLB-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H8F2O2/c11-5-3-8-6(9(12)4-5)1-2-7(8)10(13)14/h3-4,7H,1-2H2,(H,13,14)/t7-/m1/s1.
What are the key properties of (1R)-4,6-difluoro-2,3-dihydro-1H-indene-1-carboxylic acid?
(1R)-4,6-difluoro-2,3-dihydro-1H-indene-1-carboxylic acid has a molecular weight of 198.17 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-4,6-difluoro-2,3-dihydro-1H-indene-1-carboxylic acid is sourced from PubChem (CID 130665257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).