2-(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid

C12H12F2O2 — CID 84790871

IUPAC2-(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
SMILESO=C(O)CC1CCCc2c(F)cc(F)cc21
InChIInChI=1S/C12H12F2O2/c13-8-5-10-7(4-12(15)16)2-1-3-9(10)11(14)6-8/h5-7H,1-4H2,(H,15,16)
InChIKeyBCJNSFKUJIECGO-UHFFFAOYSA-N
MW226.22 g/mol
LogP2.86
Rot. Bonds2

About 2-(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid

2-(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid (PubChem CID 84790871) has the molecular formula C12H12F2O2 and a molecular weight of 226.22 g/mol. Its IUPAC name is 2-(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid.

Molecular Properties

Compound Name2-(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
PubChem CID84790871
Molecular FormulaC12H12F2O2
Molecular Weight226.22 g/mol
Exact Mass226.08
IUPAC Name2-(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
SMILESO=C(O)CC1CCCc2c(F)cc(F)cc21
InChIInChI=1S/C12H12F2O2/c13-8-5-10-7(4-12(15)16)2-1-3-9(10)11(14)6-8/h5-7H,1-4H2,(H,15,16)
InChIKeyBCJNSFKUJIECGO-UHFFFAOYSA-N
XLogP2.86
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.22
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(6,8-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
CID 84790872
2-[6,8-difluoro-9-[(4-fluorophenyl)methyl]-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid
CID 14372514
(1R)-4,6-difluoro-2,3-dihydro-1H-indene-1-carboxylic acid
CID 130665257
2-[(1R)-9-benzyl-6,8-difluoro-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid
CID 11581192
(5S)-1,3-difluoro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 79014382
2-[9-[(4-chlorophenyl)methyl]-6,8-difluoro-1,2,3,4-tetrahydrocarbazol-1-yl]acetic acid
CID 14372497
4-[[(1S)-5,7-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl]amino]cyclohexane-1-carboxylic acid
CID 122034893
(5S,6R)-6-amino-1,3-difluoro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 51601053
2-(7-fluoro-2-oxo-1,3,4,5-tetrahydro-1-benzazepin-5-yl)acetic acid
CID 82389067
2-(7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
CID 68629787
2-(2-oxo-5,6,7,8-tetrahydro-1H-quinolin-5-yl)acetic acid
CID 81104414
2-[(1S)-6-iodo-1,2,3,4-tetrahydronaphthalen-1-yl]acetic acid
CID 59021811

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid?
The IUPAC name of 2-(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid (CID 84790871) is 2-(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid.
What is the SMILES notation for 2-(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid?
The canonical SMILES for 2-(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid is O=C(O)CC1CCCc2c(F)cc(F)cc21.
What is the InChIKey of 2-(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid?
The InChIKey is BCJNSFKUJIECGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2O2/c13-8-5-10-7(4-12(15)16)2-1-3-9(10)11(14)6-8/h5-7H,1-4H2,(H,15,16).
What are the key properties of 2-(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid?
2-(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid has a molecular weight of 226.22 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-difluoro-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid is sourced from PubChem (CID 84790871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).