ethyl 2-(6,6,6-trifluorohexan-2-ylamino)acetate

C10H18F3NO2 — CID 116534534

IUPACethyl 2-(6,6,6-trifluorohexan-2-ylamino)acetate
SMILESCCOC(=O)CNC(C)CCCC(F)(F)F
InChIInChI=1S/C10H18F3NO2/c1-3-16-9(15)7-14-8(2)5-4-6-10(11,12)13/h8,14H,3-7H2,1-2H3
InChIKeyHZHCTHJEAQHZFA-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.26
Rot. Bonds7

About ethyl 2-(6,6,6-trifluorohexan-2-ylamino)acetate

ethyl 2-(6,6,6-trifluorohexan-2-ylamino)acetate (PubChem CID 116534534) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is ethyl 2-(6,6,6-trifluorohexan-2-ylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(6,6,6-trifluorohexan-2-ylamino)acetate
PubChem CID116534534
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Nameethyl 2-(6,6,6-trifluorohexan-2-ylamino)acetate
SMILESCCOC(=O)CNC(C)CCCC(F)(F)F
InChIInChI=1S/C10H18F3NO2/c1-3-16-9(15)7-14-8(2)5-4-6-10(11,12)13/h8,14H,3-7H2,1-2H3
InChIKeyHZHCTHJEAQHZFA-UHFFFAOYSA-N
XLogP2.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6,6,6-trifluorohexan-2-ylamino)acetate?
The IUPAC name of ethyl 2-(6,6,6-trifluorohexan-2-ylamino)acetate (CID 116534534) is ethyl 2-(6,6,6-trifluorohexan-2-ylamino)acetate.
What is the SMILES notation for ethyl 2-(6,6,6-trifluorohexan-2-ylamino)acetate?
The canonical SMILES for ethyl 2-(6,6,6-trifluorohexan-2-ylamino)acetate is CCOC(=O)CNC(C)CCCC(F)(F)F.
What is the InChIKey of ethyl 2-(6,6,6-trifluorohexan-2-ylamino)acetate?
The InChIKey is HZHCTHJEAQHZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c1-3-16-9(15)7-14-8(2)5-4-6-10(11,12)13/h8,14H,3-7H2,1-2H3.
What are the key properties of ethyl 2-(6,6,6-trifluorohexan-2-ylamino)acetate?
ethyl 2-(6,6,6-trifluorohexan-2-ylamino)acetate has a molecular weight of 241.25 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6,6,6-trifluorohexan-2-ylamino)acetate is sourced from PubChem (CID 116534534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).