2-(2,2-difluoroethyl)-3,3-dimethylbutanoic acid

C8H14F2O2 — CID 83137201

IUPAC2-(2,2-difluoroethyl)-3,3-dimethylbutanoic acid
SMILESCC(C)(C)C(CC(F)F)C(=O)O
InChIInChI=1S/C8H14F2O2/c1-8(2,3)5(7(11)12)4-6(9)10/h5-6H,4H2,1-3H3,(H,11,12)
InChIKeySNDVGHJWYASPFD-UHFFFAOYSA-N
MW180.19 g/mol
LogP2.39
Rot. Bonds3

About 2-(2,2-difluoroethyl)-3,3-dimethylbutanoic acid

2-(2,2-difluoroethyl)-3,3-dimethylbutanoic acid (PubChem CID 83137201) has the molecular formula C8H14F2O2 and a molecular weight of 180.19 g/mol. Its IUPAC name is 2-(2,2-difluoroethyl)-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2-(2,2-difluoroethyl)-3,3-dimethylbutanoic acid
PubChem CID83137201
Molecular FormulaC8H14F2O2
Molecular Weight180.19 g/mol
Exact Mass180.10
IUPAC Name2-(2,2-difluoroethyl)-3,3-dimethylbutanoic acid
SMILESCC(C)(C)C(CC(F)F)C(=O)O
InChIInChI=1S/C8H14F2O2/c1-8(2,3)5(7(11)12)4-6(9)10/h5-6H,4H2,1-3H3,(H,11,12)
InChIKeySNDVGHJWYASPFD-UHFFFAOYSA-N
XLogP2.39
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.19
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-ethyl-3,3-dimethylbutanoic acid
CID 87414884
2-tert-butyl-4,4,4-trifluorobutanoic acid
CID 83136000
2-tert-butyl-6,6,6-trifluorohexanoic acid
CID 83137658
3,3-dimethyl-2-(trimethylsilylmethyl)butanoic acid
CID 57231506
2-tert-butyl-5-hydroxyhexanoic acid
CID 22275994
2-(aminomethyl)-3,3-difluorobutanoic acid
CID 105429828
2-tert-butyl-5,5-dichloropent-4-enoic acid
CID 71374735
4,4,4-trifluoro-2-(2-fluoropropan-2-yl)butanoic acid
CID 84776651
4,4-dimethyl-2-(trifluoromethyl)pentanoic acid
CID 58559804
5-butoxy-2-tert-butyl-4-hydroxypentanoic acid
CID 107263672
2-tert-butyl-11-iodoundecanoic acid
CID 88526895
4-methyl-2-(1,1,1-trifluoro-2-hydroxypropan-2-yl)pentanoic acid
CID 157318706

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethyl)-3,3-dimethylbutanoic acid?
The IUPAC name of 2-(2,2-difluoroethyl)-3,3-dimethylbutanoic acid (CID 83137201) is 2-(2,2-difluoroethyl)-3,3-dimethylbutanoic acid.
What is the SMILES notation for 2-(2,2-difluoroethyl)-3,3-dimethylbutanoic acid?
The canonical SMILES for 2-(2,2-difluoroethyl)-3,3-dimethylbutanoic acid is CC(C)(C)C(CC(F)F)C(=O)O.
What is the InChIKey of 2-(2,2-difluoroethyl)-3,3-dimethylbutanoic acid?
The InChIKey is SNDVGHJWYASPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2O2/c1-8(2,3)5(7(11)12)4-6(9)10/h5-6H,4H2,1-3H3,(H,11,12).
What are the key properties of 2-(2,2-difluoroethyl)-3,3-dimethylbutanoic acid?
2-(2,2-difluoroethyl)-3,3-dimethylbutanoic acid has a molecular weight of 180.19 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethyl)-3,3-dimethylbutanoic acid is sourced from PubChem (CID 83137201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).