2-methyl-2-(2,2,3,3-tetrafluoropropoxy)pentanoic acid

C9H14F4O3 — CID 114993097

IUPAC2-methyl-2-(2,2,3,3-tetrafluoropropoxy)pentanoic acid
SMILESCCCC(C)(OCC(F)(F)C(F)F)C(=O)O
InChIInChI=1S/C9H14F4O3/c1-3-4-8(2,7(14)15)16-5-9(12,13)6(10)11/h6H,3-5H2,1-2H3,(H,14,15)
InChIKeyMYYFYZZDIQYHIR-UHFFFAOYSA-N
MW246.20 g/mol
LogP2.55
Rot. Bonds7

About 2-methyl-2-(2,2,3,3-tetrafluoropropoxy)pentanoic acid

2-methyl-2-(2,2,3,3-tetrafluoropropoxy)pentanoic acid (PubChem CID 114993097) has the molecular formula C9H14F4O3 and a molecular weight of 246.20 g/mol. Its IUPAC name is 2-methyl-2-(2,2,3,3-tetrafluoropropoxy)pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-(2,2,3,3-tetrafluoropropoxy)pentanoic acid
PubChem CID114993097
Molecular FormulaC9H14F4O3
Molecular Weight246.20 g/mol
Exact Mass246.09
IUPAC Name2-methyl-2-(2,2,3,3-tetrafluoropropoxy)pentanoic acid
SMILESCCCC(C)(OCC(F)(F)C(F)F)C(=O)O
InChIInChI=1S/C9H14F4O3/c1-3-4-8(2,7(14)15)16-5-9(12,13)6(10)11/h6H,3-5H2,1-2H3,(H,14,15)
InChIKeyMYYFYZZDIQYHIR-UHFFFAOYSA-N
XLogP2.55
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.20
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethylhexoxy)-2-methylpentanoic acid
CID 114994394
2-but-3-enoxy-2-methylpentanoic acid
CID 114988966
2-carbonochloridoyloxy-2-methylpentanoic acid
CID 57096722
2,2,3,3-tetrafluoropropyl N-ethylcarbamate
CID 137320402
3-(2,2,3,3-tetrafluoropropoxy)pentanoic acid
CID 114993438
2-ethoxy-2,5-dimethylhexanoic acid
CID 78969490
2-ethoxy-2-methylnonanoic acid
CID 78969453
1-(2,2,3,3-tetrafluoropropoxy)hexan-2-one
CID 103473659
1-O-ethyl 3-O-(2,2,3,3-tetrafluoropropyl) 2,2-diethylpropanedioate
CID 91734908
2-dodecoxy-2-methyltetradecanoic acid
CID 88959462
2-ethoxy-3-(2,2,3,3-tetrafluoropropoxy)propanoic acid
CID 63073619
N,2-dimethyl-2-(2,2,3,3-tetrafluoropropoxy)propan-1-amine
CID 62355624

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2,2,3,3-tetrafluoropropoxy)pentanoic acid?
The IUPAC name of 2-methyl-2-(2,2,3,3-tetrafluoropropoxy)pentanoic acid (CID 114993097) is 2-methyl-2-(2,2,3,3-tetrafluoropropoxy)pentanoic acid.
What is the SMILES notation for 2-methyl-2-(2,2,3,3-tetrafluoropropoxy)pentanoic acid?
The canonical SMILES for 2-methyl-2-(2,2,3,3-tetrafluoropropoxy)pentanoic acid is CCCC(C)(OCC(F)(F)C(F)F)C(=O)O.
What is the InChIKey of 2-methyl-2-(2,2,3,3-tetrafluoropropoxy)pentanoic acid?
The InChIKey is MYYFYZZDIQYHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F4O3/c1-3-4-8(2,7(14)15)16-5-9(12,13)6(10)11/h6H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 2-methyl-2-(2,2,3,3-tetrafluoropropoxy)pentanoic acid?
2-methyl-2-(2,2,3,3-tetrafluoropropoxy)pentanoic acid has a molecular weight of 246.20 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2,2,3,3-tetrafluoropropoxy)pentanoic acid is sourced from PubChem (CID 114993097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).