1-(butan-2-ylamino)-6,6,6-trifluorohexan-2-one

C10H18F3NO — CID 116556231

IUPAC1-(butan-2-ylamino)-6,6,6-trifluorohexan-2-one
SMILESCCC(C)NCC(=O)CCCC(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-3-8(2)14-7-9(15)5-4-6-10(11,12)13/h8,14H,3-7H2,1-2H3
InChIKeyKKTLOBFNAHANOW-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.68
Rot. Bonds7

About 1-(butan-2-ylamino)-6,6,6-trifluorohexan-2-one

1-(butan-2-ylamino)-6,6,6-trifluorohexan-2-one (PubChem CID 116556231) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 1-(butan-2-ylamino)-6,6,6-trifluorohexan-2-one.

Molecular Properties

Compound Name1-(butan-2-ylamino)-6,6,6-trifluorohexan-2-one
PubChem CID116556231
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name1-(butan-2-ylamino)-6,6,6-trifluorohexan-2-one
SMILESCCC(C)NCC(=O)CCCC(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-3-8(2)14-7-9(15)5-4-6-10(11,12)13/h8,14H,3-7H2,1-2H3
InChIKeyKKTLOBFNAHANOW-UHFFFAOYSA-N
XLogP2.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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 1-(butan-2-ylamino)-6,6,6-trifluorohexan-2-one?
The IUPAC name of 1-(butan-2-ylamino)-6,6,6-trifluorohexan-2-one (CID 116556231) is 1-(butan-2-ylamino)-6,6,6-trifluorohexan-2-one.
What is the SMILES notation for 1-(butan-2-ylamino)-6,6,6-trifluorohexan-2-one?
The canonical SMILES for 1-(butan-2-ylamino)-6,6,6-trifluorohexan-2-one is CCC(C)NCC(=O)CCCC(F)(F)F.
What is the InChIKey of 1-(butan-2-ylamino)-6,6,6-trifluorohexan-2-one?
The InChIKey is KKTLOBFNAHANOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-3-8(2)14-7-9(15)5-4-6-10(11,12)13/h8,14H,3-7H2,1-2H3.
What are the key properties of 1-(butan-2-ylamino)-6,6,6-trifluorohexan-2-one?
1-(butan-2-ylamino)-6,6,6-trifluorohexan-2-one has a molecular weight of 225.25 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(butan-2-ylamino)-6,6,6-trifluorohexan-2-one is sourced from PubChem (CID 116556231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).