7,7,7-trifluoro-2-methyl-4-(propan-2-ylamino)heptan-3-one

C11H20F3NO — CID 130433887

IUPAC7,7,7-trifluoro-2-methyl-4-(propan-2-ylamino)heptan-3-one
SMILESCC(C)NC(CCC(F)(F)F)C(=O)C(C)C
InChIInChI=1S/C11H20F3NO/c1-7(2)10(16)9(15-8(3)4)5-6-11(12,13)14/h7-9,15H,5-6H2,1-4H3
InChIKeyYMUGKTGXEYNXEX-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.92
Rot. Bonds6

About 7,7,7-trifluoro-2-methyl-4-(propan-2-ylamino)heptan-3-one

7,7,7-trifluoro-2-methyl-4-(propan-2-ylamino)heptan-3-one (PubChem CID 130433887) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 7,7,7-trifluoro-2-methyl-4-(propan-2-ylamino)heptan-3-one.

Molecular Properties

Compound Name7,7,7-trifluoro-2-methyl-4-(propan-2-ylamino)heptan-3-one
PubChem CID130433887
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name7,7,7-trifluoro-2-methyl-4-(propan-2-ylamino)heptan-3-one
SMILESCC(C)NC(CCC(F)(F)F)C(=O)C(C)C
InChIInChI=1S/C11H20F3NO/c1-7(2)10(16)9(15-8(3)4)5-6-11(12,13)14/h7-9,15H,5-6H2,1-4H3
InChIKeyYMUGKTGXEYNXEX-UHFFFAOYSA-N
XLogP2.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-5-methyl-3-(methylamino)hexan-2-one
CID 59960251
1,1,1-Trifluoro-4-methyl-2-(propan-2-ylamino)pentan-3-one
CID 18739772
7,7-Difluoro-2-methyl-5-(propan-2-ylamino)heptan-3-one
CID 20766372
1-(4,4-Difluoropyrrolidin-2-yl)-2-methylpropan-1-one
CID 59581067
1-[(2S,4S)-4-fluoropyrrolidin-2-yl]-2-methylpropan-1-one
CID 59668715
1-[(2S,4R)-4-fluoropyrrolidin-2-yl]-2-methylpropan-1-one
CID 59668879
1-[(2S)-4,4-difluoropyrrolidin-2-yl]-2-methylpropan-1-one
CID 59668915
1-[(2S)-4-fluoro-4-methylpyrrolidin-2-yl]-2-methylpropan-1-one
CID 68044509
1-(4-Fluoropyrrolidin-2-yl)-2-methylpropan-1-one
CID 72352946
1-(4-Fluoro-4-methylpyrrolidin-2-yl)-2-methylpropan-1-one
CID 77400044
4-Amino-7,7,7-trifluoro-2-methylheptan-3-one
CID 88980978
(3S)-6,6,6-trifluoro-3-(methylamino)-5-(trifluoromethyl)hexan-2-one
CID 89230316

Frequently Asked Questions

What is the IUPAC name of 7,7,7-trifluoro-2-methyl-4-(propan-2-ylamino)heptan-3-one?
The IUPAC name of 7,7,7-trifluoro-2-methyl-4-(propan-2-ylamino)heptan-3-one (CID 130433887) is 7,7,7-trifluoro-2-methyl-4-(propan-2-ylamino)heptan-3-one.
What is the SMILES notation for 7,7,7-trifluoro-2-methyl-4-(propan-2-ylamino)heptan-3-one?
The canonical SMILES for 7,7,7-trifluoro-2-methyl-4-(propan-2-ylamino)heptan-3-one is CC(C)NC(CCC(F)(F)F)C(=O)C(C)C.
What is the InChIKey of 7,7,7-trifluoro-2-methyl-4-(propan-2-ylamino)heptan-3-one?
The InChIKey is YMUGKTGXEYNXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-7(2)10(16)9(15-8(3)4)5-6-11(12,13)14/h7-9,15H,5-6H2,1-4H3.
What are the key properties of 7,7,7-trifluoro-2-methyl-4-(propan-2-ylamino)heptan-3-one?
7,7,7-trifluoro-2-methyl-4-(propan-2-ylamino)heptan-3-one has a molecular weight of 239.28 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,7-trifluoro-2-methyl-4-(propan-2-ylamino)heptan-3-one is sourced from PubChem (CID 130433887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).