3-[1-cyclopropylethyl(methyl)amino]-4,4,4-trifluorobutanoic acid

C10H16F3NO2 — CID 63067072

IUPAC3-[1-cyclopropylethyl(methyl)amino]-4,4,4-trifluorobutanoic acid
SMILESCC(C1CC1)N(C)C(CC(=O)O)C(F)(F)F
InChIInChI=1S/C10H16F3NO2/c1-6(7-3-4-7)14(2)8(5-9(15)16)10(11,12)13/h6-8H,3-5H2,1-2H3,(H,15,16)
InChIKeyCCQCRYQWNGRHJQ-UHFFFAOYSA-N
MW239.24 g/mol
LogP2.12
Rot. Bonds5

About 3-[1-cyclopropylethyl(methyl)amino]-4,4,4-trifluorobutanoic acid

3-[1-cyclopropylethyl(methyl)amino]-4,4,4-trifluorobutanoic acid (PubChem CID 63067072) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is 3-[1-cyclopropylethyl(methyl)amino]-4,4,4-trifluorobutanoic acid.

Molecular Properties

Compound Name3-[1-cyclopropylethyl(methyl)amino]-4,4,4-trifluorobutanoic acid
PubChem CID63067072
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name3-[1-cyclopropylethyl(methyl)amino]-4,4,4-trifluorobutanoic acid
SMILESCC(C1CC1)N(C)C(CC(=O)O)C(F)(F)F
InChIInChI=1S/C10H16F3NO2/c1-6(7-3-4-7)14(2)8(5-9(15)16)10(11,12)13/h6-8H,3-5H2,1-2H3,(H,15,16)
InChIKeyCCQCRYQWNGRHJQ-UHFFFAOYSA-N
XLogP2.12
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1-cyclopropylethyl(methyl)amino]-4,4,4-trifluorobutanoic acid?
The IUPAC name of 3-[1-cyclopropylethyl(methyl)amino]-4,4,4-trifluorobutanoic acid (CID 63067072) is 3-[1-cyclopropylethyl(methyl)amino]-4,4,4-trifluorobutanoic acid.
What is the SMILES notation for 3-[1-cyclopropylethyl(methyl)amino]-4,4,4-trifluorobutanoic acid?
The canonical SMILES for 3-[1-cyclopropylethyl(methyl)amino]-4,4,4-trifluorobutanoic acid is CC(C1CC1)N(C)C(CC(=O)O)C(F)(F)F.
What is the InChIKey of 3-[1-cyclopropylethyl(methyl)amino]-4,4,4-trifluorobutanoic acid?
The InChIKey is CCQCRYQWNGRHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c1-6(7-3-4-7)14(2)8(5-9(15)16)10(11,12)13/h6-8H,3-5H2,1-2H3,(H,15,16).
What are the key properties of 3-[1-cyclopropylethyl(methyl)amino]-4,4,4-trifluorobutanoic acid?
3-[1-cyclopropylethyl(methyl)amino]-4,4,4-trifluorobutanoic acid has a molecular weight of 239.24 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-cyclopropylethyl(methyl)amino]-4,4,4-trifluorobutanoic acid is sourced from PubChem (CID 63067072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).