4-(ethylamino)-2-(trifluoromethyl)pentanoic acid

C8H14F3NO2 — CID 3852301

IUPAC4-(ethylamino)-2-(trifluoromethyl)pentanoic acid
SMILESCCNC(C)CC(C(=O)O)C(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-3-12-5(2)4-6(7(13)14)8(9,10)11/h5-6,12H,3-4H2,1-2H3,(H,13,14)
InChIKeyXDLUGTVCMGNDMV-UHFFFAOYSA-N
MW213.20 g/mol
LogP1.64
Rot. Bonds5

About 4-(ethylamino)-2-(trifluoromethyl)pentanoic acid

4-(ethylamino)-2-(trifluoromethyl)pentanoic acid (PubChem CID 3852301) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 4-(ethylamino)-2-(trifluoromethyl)pentanoic acid.

Molecular Properties

Compound Name4-(ethylamino)-2-(trifluoromethyl)pentanoic acid
PubChem CID3852301
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Name4-(ethylamino)-2-(trifluoromethyl)pentanoic acid
SMILESCCNC(C)CC(C(=O)O)C(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-3-12-5(2)4-6(7(13)14)8(9,10)11/h5-6,12H,3-4H2,1-2H3,(H,13,14)
InChIKeyXDLUGTVCMGNDMV-UHFFFAOYSA-N
XLogP1.64
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-2-(trifluoromethyl)pentanoic acid?
The IUPAC name of 4-(ethylamino)-2-(trifluoromethyl)pentanoic acid (CID 3852301) is 4-(ethylamino)-2-(trifluoromethyl)pentanoic acid.
What is the SMILES notation for 4-(ethylamino)-2-(trifluoromethyl)pentanoic acid?
The canonical SMILES for 4-(ethylamino)-2-(trifluoromethyl)pentanoic acid is CCNC(C)CC(C(=O)O)C(F)(F)F.
What is the InChIKey of 4-(ethylamino)-2-(trifluoromethyl)pentanoic acid?
The InChIKey is XDLUGTVCMGNDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2/c1-3-12-5(2)4-6(7(13)14)8(9,10)11/h5-6,12H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 4-(ethylamino)-2-(trifluoromethyl)pentanoic acid?
4-(ethylamino)-2-(trifluoromethyl)pentanoic acid has a molecular weight of 213.20 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-2-(trifluoromethyl)pentanoic acid is sourced from PubChem (CID 3852301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).