4,4-difluoro-2,2-dimethyl-4-(4-propan-2-ylphenyl)butanoic acid

C15H20F2O2 — CID 65297789

IUPAC4,4-difluoro-2,2-dimethyl-4-(4-propan-2-ylphenyl)butanoic acid
SMILESCC(C)c1ccc(C(F)(F)CC(C)(C)C(=O)O)cc1
InChIInChI=1S/C15H20F2O2/c1-10(2)11-5-7-12(8-6-11)15(16,17)9-14(3,4)13(18)19/h5-8,10H,9H2,1-4H3,(H,18,19)
InChIKeySLETXMXRODQGLY-UHFFFAOYSA-N
MW270.32 g/mol
LogP4.40
Rot. Bonds5

About 4,4-difluoro-2,2-dimethyl-4-(4-propan-2-ylphenyl)butanoic acid

4,4-difluoro-2,2-dimethyl-4-(4-propan-2-ylphenyl)butanoic acid (PubChem CID 65297789) has the molecular formula C15H20F2O2 and a molecular weight of 270.32 g/mol. Its IUPAC name is 4,4-difluoro-2,2-dimethyl-4-(4-propan-2-ylphenyl)butanoic acid.

Molecular Properties

Compound Name4,4-difluoro-2,2-dimethyl-4-(4-propan-2-ylphenyl)butanoic acid
PubChem CID65297789
Molecular FormulaC15H20F2O2
Molecular Weight270.32 g/mol
Exact Mass270.14
IUPAC Name4,4-difluoro-2,2-dimethyl-4-(4-propan-2-ylphenyl)butanoic acid
SMILESCC(C)c1ccc(C(F)(F)CC(C)(C)C(=O)O)cc1
InChIInChI=1S/C15H20F2O2/c1-10(2)11-5-7-12(8-6-11)15(16,17)9-14(3,4)13(18)19/h5-8,10H,9H2,1-4H3,(H,18,19)
InChIKeySLETXMXRODQGLY-UHFFFAOYSA-N
XLogP4.40
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-hydroxy-2-(4-propan-2-ylphenyl)propanoic acid
CID 19855513
4-(3-bromo-4-fluorophenyl)-4,4-difluoro-2,2-dimethylbutanoic acid
CID 79737032
4,4,5,5,5-pentafluoro-2-(4-propan-2-ylphenyl)pentan-2-ol
CID 156764645
4,5,5,5-tetrafluoro-2-(4-propan-2-ylphenyl)-4-(trifluoromethyl)pentan-2-ol
CID 156765582
3-hydroxy-2-propan-2-yl-3-(4-propan-2-ylphenyl)butanoic acid
CID 62396641
2-(4-propan-2-ylphenyl)propan-2-ylcarbamic acid
CID 154135405
[2-methyl-2-(4-propan-2-ylphenyl)propyl]carbamic acid
CID 115171362
3-methyl-2-(4-propan-2-ylphenyl)butan-2-ol
CID 62800591
2-[acetyl(ethyl)amino]-2-(4-propan-2-ylphenyl)propanoic acid
CID 63701433
4-amino-3-methyl-3-(4-propan-2-ylphenyl)pentanoic acid
CID 66096034
1-butan-2-yl-4-tert-butylbenzene;2,2-dimethylbutanoic acid
CID 158163672
3-(4-butan-2-ylphenyl)-3,3-difluoropropanoic acid
CID 116838338

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-2,2-dimethyl-4-(4-propan-2-ylphenyl)butanoic acid?
The IUPAC name of 4,4-difluoro-2,2-dimethyl-4-(4-propan-2-ylphenyl)butanoic acid (CID 65297789) is 4,4-difluoro-2,2-dimethyl-4-(4-propan-2-ylphenyl)butanoic acid.
What is the SMILES notation for 4,4-difluoro-2,2-dimethyl-4-(4-propan-2-ylphenyl)butanoic acid?
The canonical SMILES for 4,4-difluoro-2,2-dimethyl-4-(4-propan-2-ylphenyl)butanoic acid is CC(C)c1ccc(C(F)(F)CC(C)(C)C(=O)O)cc1.
What is the InChIKey of 4,4-difluoro-2,2-dimethyl-4-(4-propan-2-ylphenyl)butanoic acid?
The InChIKey is SLETXMXRODQGLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2O2/c1-10(2)11-5-7-12(8-6-11)15(16,17)9-14(3,4)13(18)19/h5-8,10H,9H2,1-4H3,(H,18,19).
What are the key properties of 4,4-difluoro-2,2-dimethyl-4-(4-propan-2-ylphenyl)butanoic acid?
4,4-difluoro-2,2-dimethyl-4-(4-propan-2-ylphenyl)butanoic acid has a molecular weight of 270.32 g/mol, XLogP of 4.40, 5 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-propan-2-ylphenyl)butanoic acid is sourced from PubChem (CID 65297789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).