4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methyl-2-(propylamino)butanoic acid

C11H17F6NO3 — CID 102722825

IUPAC4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methyl-2-(propylamino)butanoic acid
SMILESCCCNC(C)(CCOC(C(F)(F)F)C(F)(F)F)C(=O)O
InChIInChI=1S/C11H17F6NO3/c1-3-5-18-9(2,8(19)20)4-6-21-7(10(12,13)14)11(15,16)17/h7,18H,3-6H2,1-2H3,(H,19,20)
InChIKeyAIQFSKOHUGJCOS-UHFFFAOYSA-N
MW325.25 g/mol
LogP2.73
Rot. Bonds8

About 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methyl-2-(propylamino)butanoic acid

4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methyl-2-(propylamino)butanoic acid (PubChem CID 102722825) has the molecular formula C11H17F6NO3 and a molecular weight of 325.25 g/mol. Its IUPAC name is 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methyl-2-(propylamino)butanoic acid.

Molecular Properties

Compound Name4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methyl-2-(propylamino)butanoic acid
PubChem CID102722825
Molecular FormulaC11H17F6NO3
Molecular Weight325.25 g/mol
Exact Mass325.11
IUPAC Name4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methyl-2-(propylamino)butanoic acid
SMILESCCCNC(C)(CCOC(C(F)(F)F)C(F)(F)F)C(=O)O
InChIInChI=1S/C11H17F6NO3/c1-3-5-18-9(2,8(19)20)4-6-21-7(10(12,13)14)11(15,16)17/h7,18H,3-6H2,1-2H3,(H,19,20)
InChIKeyAIQFSKOHUGJCOS-UHFFFAOYSA-N
XLogP2.73
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-(propylamino)-4-(3,3,3-trifluoropropoxy)pentanoic acid
CID 82959471
2-methyl-2-(propylamino)-6-(4,4,4-trifluorobutoxy)hexanoic acid
CID 82783635
2-methyl-2-(3,3,3-trifluoropropylamino)pentanoic acid
CID 63227923
4-methoxy-2-(3-methoxypropylamino)-2-methylbutanoic acid
CID 114998801
5-(2-ethylbutoxy)-2-methyl-2-(propylamino)pentanoic acid
CID 114208529
2-(ethylamino)-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methylbutan-1-ol
CID 102723478
2-methyl-3-pentan-2-yloxy-2-(propylamino)propanoic acid
CID 102984225
2-(ethylamino)-2-methyl-4-(3,3,3-trifluoropropoxy)pentanoic acid
CID 82958128
2-methyl-4-pentan-2-yloxy-2-(propylamino)butanamide
CID 102984400
2-methyl-2-(propylamino)-6-(1,1,1-trifluoropropan-2-yloxy)hexanamide
CID 66275068
5-[2-ethoxyethyl(ethyl)amino]-2-methyl-2-(propylamino)pentanoic acid
CID 63690528
2-methyl-4-(2-propoxyethoxy)-2-(propylamino)pentanoic acid
CID 64720042

Frequently Asked Questions

What is the IUPAC name of 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methyl-2-(propylamino)butanoic acid?
The IUPAC name of 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methyl-2-(propylamino)butanoic acid (CID 102722825) is 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methyl-2-(propylamino)butanoic acid.
What is the SMILES notation for 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methyl-2-(propylamino)butanoic acid?
The canonical SMILES for 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methyl-2-(propylamino)butanoic acid is CCCNC(C)(CCOC(C(F)(F)F)C(F)(F)F)C(=O)O.
What is the InChIKey of 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methyl-2-(propylamino)butanoic acid?
The InChIKey is AIQFSKOHUGJCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F6NO3/c1-3-5-18-9(2,8(19)20)4-6-21-7(10(12,13)14)11(15,16)17/h7,18H,3-6H2,1-2H3,(H,19,20).
What are the key properties of 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methyl-2-(propylamino)butanoic acid?
4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methyl-2-(propylamino)butanoic acid has a molecular weight of 325.25 g/mol, XLogP of 2.73, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methyl-2-(propylamino)butanoic acid is sourced from PubChem (CID 102722825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).