2-(ethylamino)-7,7,7-trifluoro-2-methylheptan-3-one

C10H18F3NO — CID 116566162

IUPAC2-(ethylamino)-7,7,7-trifluoro-2-methylheptan-3-one
SMILESCCNC(C)(C)C(=O)CCCC(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-4-14-9(2,3)8(15)6-5-7-10(11,12)13/h14H,4-7H2,1-3H3
InChIKeyGMYDQTSSURPJJH-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.68
Rot. Bonds6

About 2-(ethylamino)-7,7,7-trifluoro-2-methylheptan-3-one

2-(ethylamino)-7,7,7-trifluoro-2-methylheptan-3-one (PubChem CID 116566162) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-(ethylamino)-7,7,7-trifluoro-2-methylheptan-3-one.

Molecular Properties

Compound Name2-(ethylamino)-7,7,7-trifluoro-2-methylheptan-3-one
PubChem CID116566162
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name2-(ethylamino)-7,7,7-trifluoro-2-methylheptan-3-one
SMILESCCNC(C)(C)C(=O)CCCC(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-4-14-9(2,3)8(15)6-5-7-10(11,12)13/h14H,4-7H2,1-3H3
InChIKeyGMYDQTSSURPJJH-UHFFFAOYSA-N
XLogP2.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-7,7,7-trifluoro-2-methylheptan-3-one?
The IUPAC name of 2-(ethylamino)-7,7,7-trifluoro-2-methylheptan-3-one (CID 116566162) is 2-(ethylamino)-7,7,7-trifluoro-2-methylheptan-3-one.
What is the SMILES notation for 2-(ethylamino)-7,7,7-trifluoro-2-methylheptan-3-one?
The canonical SMILES for 2-(ethylamino)-7,7,7-trifluoro-2-methylheptan-3-one is CCNC(C)(C)C(=O)CCCC(F)(F)F.
What is the InChIKey of 2-(ethylamino)-7,7,7-trifluoro-2-methylheptan-3-one?
The InChIKey is GMYDQTSSURPJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-4-14-9(2,3)8(15)6-5-7-10(11,12)13/h14H,4-7H2,1-3H3.
What are the key properties of 2-(ethylamino)-7,7,7-trifluoro-2-methylheptan-3-one?
2-(ethylamino)-7,7,7-trifluoro-2-methylheptan-3-one has a molecular weight of 225.25 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-7,7,7-trifluoro-2-methylheptan-3-one is sourced from PubChem (CID 116566162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).