2-(1,1,2,2,3,3,4,6,7-nonafluoroinden-5-yl)acetic acid

C11H3F9O2 — CID 125483924

IUPAC2-(1,1,2,2,3,3,4,6,7-nonafluoroinden-5-yl)acetic acid
SMILESO=C(O)Cc1c(F)c(F)c2c(c1F)C(F)(F)C(F)(F)C2(F)F
InChIInChI=1S/C11H3F9O2/c12-6-2(1-3(21)22)7(13)8(14)5-4(6)9(15,16)11(19,20)10(5,17)18/h1H2,(H,21,22)
InChIKeyGXGPGDREGASXKR-UHFFFAOYSA-N
MW338.13 g/mol
LogP3.56
Rot. Bonds2

About 2-(1,1,2,2,3,3,4,6,7-nonafluoroinden-5-yl)acetic acid

2-(1,1,2,2,3,3,4,6,7-nonafluoroinden-5-yl)acetic acid (PubChem CID 125483924) has the molecular formula C11H3F9O2 and a molecular weight of 338.13 g/mol. Its IUPAC name is 2-(1,1,2,2,3,3,4,6,7-nonafluoroinden-5-yl)acetic acid.

Molecular Properties

Compound Name2-(1,1,2,2,3,3,4,6,7-nonafluoroinden-5-yl)acetic acid
PubChem CID125483924
Molecular FormulaC11H3F9O2
Molecular Weight338.13 g/mol
Exact Mass338.00
IUPAC Name2-(1,1,2,2,3,3,4,6,7-nonafluoroinden-5-yl)acetic acid
SMILESO=C(O)Cc1c(F)c(F)c2c(c1F)C(F)(F)C(F)(F)C2(F)F
InChIInChI=1S/C11H3F9O2/c12-6-2(1-3(21)22)7(13)8(14)5-4(6)9(15,16)11(19,20)10(5,17)18/h1H2,(H,21,22)
InChIKeyGXGPGDREGASXKR-UHFFFAOYSA-N
XLogP3.56
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.13
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2,3-dihydro-1H-inden-5-yl)acetic acid
CID 227361
2,3,5,6-Tetrafluoro-4-(trifluoromethyl)phenylacetic acid
CID 283339
2,4-Bis(trifluoromethyl)phenylacetic acid
CID 2736172
2,5-Bis(trifluoromethyl)phenylacetic acid
CID 2773201
(Heptafluoronaphthalen-2-yl)acetic acid
CID 85883920
Ethyl 2-(nonafluoroindan-5-yl)acetate
CID 125472140
2-(Undeca-fluoro-1,2,3,4-tetrahydronaphthalen-6-yl)acetic acid
CID 125484012
2,2-Dichloro-2-(nonafluoroindan-5-yl)acetic acid
CID 125484122
2,2,3,3,4,5,6,7-Octafluoroindan-1-carboxylic acid
CID 164576966
2-[2-Methyl-3,5-bis(trifluoromethyl)phenyl]acetic acid
CID 21955241
2-[4-Methyl-3,5-bis(trifluoromethyl)phenyl]acetic acid
CID 56635678
2-[2,5-Bis(difluoromethyl)phenyl]acetic acid
CID 67512727

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2,2,3,3,4,6,7-nonafluoroinden-5-yl)acetic acid?
The IUPAC name of 2-(1,1,2,2,3,3,4,6,7-nonafluoroinden-5-yl)acetic acid (CID 125483924) is 2-(1,1,2,2,3,3,4,6,7-nonafluoroinden-5-yl)acetic acid.
What is the SMILES notation for 2-(1,1,2,2,3,3,4,6,7-nonafluoroinden-5-yl)acetic acid?
The canonical SMILES for 2-(1,1,2,2,3,3,4,6,7-nonafluoroinden-5-yl)acetic acid is O=C(O)Cc1c(F)c(F)c2c(c1F)C(F)(F)C(F)(F)C2(F)F.
What is the InChIKey of 2-(1,1,2,2,3,3,4,6,7-nonafluoroinden-5-yl)acetic acid?
The InChIKey is GXGPGDREGASXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H3F9O2/c12-6-2(1-3(21)22)7(13)8(14)5-4(6)9(15,16)11(19,20)10(5,17)18/h1H2,(H,21,22).
What are the key properties of 2-(1,1,2,2,3,3,4,6,7-nonafluoroinden-5-yl)acetic acid?
2-(1,1,2,2,3,3,4,6,7-nonafluoroinden-5-yl)acetic acid has a molecular weight of 338.13 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2,3,3,4,6,7-nonafluoroinden-5-yl)acetic acid is sourced from PubChem (CID 125483924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).