4,4-difluoro-2,2-dimethyl-4-(4-methylnaphthalen-1-yl)butanoic acid

C17H18F2O2 — CID 65297338

IUPAC4,4-difluoro-2,2-dimethyl-4-(4-methylnaphthalen-1-yl)butanoic acid
SMILESCc1ccc(C(F)(F)CC(C)(C)C(=O)O)c2ccccc12
InChIInChI=1S/C17H18F2O2/c1-11-8-9-14(13-7-5-4-6-12(11)13)17(18,19)10-16(2,3)15(20)21/h4-9H,10H2,1-3H3,(H,20,21)
InChIKeyYUMUFTAGYOTSRX-UHFFFAOYSA-N
MW292.33 g/mol
LogP4.74
Rot. Bonds4

About 4,4-difluoro-2,2-dimethyl-4-(4-methylnaphthalen-1-yl)butanoic acid

4,4-difluoro-2,2-dimethyl-4-(4-methylnaphthalen-1-yl)butanoic acid (PubChem CID 65297338) has the molecular formula C17H18F2O2 and a molecular weight of 292.33 g/mol. Its IUPAC name is 4,4-difluoro-2,2-dimethyl-4-(4-methylnaphthalen-1-yl)butanoic acid.

Molecular Properties

Compound Name4,4-difluoro-2,2-dimethyl-4-(4-methylnaphthalen-1-yl)butanoic acid
PubChem CID65297338
Molecular FormulaC17H18F2O2
Molecular Weight292.33 g/mol
Exact Mass292.13
IUPAC Name4,4-difluoro-2,2-dimethyl-4-(4-methylnaphthalen-1-yl)butanoic acid
SMILESCc1ccc(C(F)(F)CC(C)(C)C(=O)O)c2ccccc12
InChIInChI=1S/C17H18F2O2/c1-11-8-9-14(13-7-5-4-6-12(11)13)17(18,19)10-16(2,3)15(20)21/h4-9H,10H2,1-3H3,(H,20,21)
InChIKeyYUMUFTAGYOTSRX-UHFFFAOYSA-N
XLogP4.74
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(1-benzothiophen-3-yl)-4,4-difluoro-2,2-dimethylbutanoic acid
CID 65297334
4-(2,5-dimethylthiophen-3-yl)-4,4-difluoro-2,2-dimethylbutanoic acid
CID 65297936
4-hydroxy-2,2-dimethyl-4-(4-methylnaphthalen-1-yl)butanoic acid
CID 65297898
(4-methylnaphthalen-1-yl)-diphenylmethanol
CID 2817969
3-[2-(2-fluoropropan-2-yl)phenyl]-2,2-dimethylpropanoic acid
CID 117349418
4,4-difluoro-2,2-dimethyl-4-(4-propan-2-ylphenyl)butanoic acid
CID 65297789
3,3-difluoro-3-(2-methylphenyl)propanoic acid
CID 84669252
4-(3-bromo-4-fluorophenyl)-4,4-difluoro-2,2-dimethylbutanoic acid
CID 79737032
3-(2,3-dimethoxy-4-methylphenyl)-3-hydroxybutanoic acid
CID 12617565
2,2-dimethyl-3-[2-(trifluoromethyl)anilino]propanoic acid
CID 79629024
carbonic acid;1-methylnaphthalene
CID 66808059
2-methyl-2-[2-(1,1,2,2-tetrafluoroethyl)phenyl]propanoic acid
CID 84729711

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-2,2-dimethyl-4-(4-methylnaphthalen-1-yl)butanoic acid?
The IUPAC name of 4,4-difluoro-2,2-dimethyl-4-(4-methylnaphthalen-1-yl)butanoic acid (CID 65297338) is 4,4-difluoro-2,2-dimethyl-4-(4-methylnaphthalen-1-yl)butanoic acid.
What is the SMILES notation for 4,4-difluoro-2,2-dimethyl-4-(4-methylnaphthalen-1-yl)butanoic acid?
The canonical SMILES for 4,4-difluoro-2,2-dimethyl-4-(4-methylnaphthalen-1-yl)butanoic acid is Cc1ccc(C(F)(F)CC(C)(C)C(=O)O)c2ccccc12.
What is the InChIKey of 4,4-difluoro-2,2-dimethyl-4-(4-methylnaphthalen-1-yl)butanoic acid?
The InChIKey is YUMUFTAGYOTSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2O2/c1-11-8-9-14(13-7-5-4-6-12(11)13)17(18,19)10-16(2,3)15(20)21/h4-9H,10H2,1-3H3,(H,20,21).
What are the key properties of 4,4-difluoro-2,2-dimethyl-4-(4-methylnaphthalen-1-yl)butanoic acid?
4,4-difluoro-2,2-dimethyl-4-(4-methylnaphthalen-1-yl)butanoic acid has a molecular weight of 292.33 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-2,2-dimethyl-4-(4-methylnaphthalen-1-yl)butanoic acid is sourced from PubChem (CID 65297338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).