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

C10H18F3NO — CID 116565331

IUPAC1-(ethylamino)-7,7,7-trifluoro-2-methylheptan-3-one
SMILESCCNCC(C)C(=O)CCCC(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-3-14-7-8(2)9(15)5-4-6-10(11,12)13/h8,14H,3-7H2,1-2H3
InChIKeyNDKPGLVLLWSCBE-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.53
Rot. Bonds7

About 1-(ethylamino)-7,7,7-trifluoro-2-methylheptan-3-one

1-(ethylamino)-7,7,7-trifluoro-2-methylheptan-3-one (PubChem CID 116565331) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 1-(ethylamino)-7,7,7-trifluoro-2-methylheptan-3-one.

Molecular Properties

Compound Name1-(ethylamino)-7,7,7-trifluoro-2-methylheptan-3-one
PubChem CID116565331
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name1-(ethylamino)-7,7,7-trifluoro-2-methylheptan-3-one
SMILESCCNCC(C)C(=O)CCCC(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-3-14-7-8(2)9(15)5-4-6-10(11,12)13/h8,14H,3-7H2,1-2H3
InChIKeyNDKPGLVLLWSCBE-UHFFFAOYSA-N
XLogP2.53
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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(ethylamino)-2-methyl-6-methylsulfonylhexan-3-one
CID 116565200
2-[[3-(ethylamino)-2-methylpropanoyl]amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79798571
N-(2,3-dihydroxy-2-methylpropyl)-3-(ethylamino)-2-methylpropanamide
CID 66185352
3-(ethylamino)-2-methyl-N-propan-2-ylpropanamide
CID 62853402
1-(ethylamino)-2,5-dimethylhex-5-en-3-one
CID 116565362
3-(ethylamino)-2-methyl-N-(2-methylpropyl)propanamide
CID 62853586
3-(ethylamino)-2-methylpropanamide
CID 43311981
3-(ethylamino)-2-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)propanamide
CID 55122690
5-(ethylamino)-4-methylpent-1-en-3-one
CID 116565247
2-ethyl-2-[[[3-(ethylamino)-2-methylpropanoyl]amino]methyl]butanoic acid
CID 115430382
3-(ethylamino)-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-methylpropanamide
CID 106188154
6-ethoxy-1,1,1-trifluorononan-5-one
CID 116707742

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-7,7,7-trifluoro-2-methylheptan-3-one?
The IUPAC name of 1-(ethylamino)-7,7,7-trifluoro-2-methylheptan-3-one (CID 116565331) is 1-(ethylamino)-7,7,7-trifluoro-2-methylheptan-3-one.
What is the SMILES notation for 1-(ethylamino)-7,7,7-trifluoro-2-methylheptan-3-one?
The canonical SMILES for 1-(ethylamino)-7,7,7-trifluoro-2-methylheptan-3-one is CCNCC(C)C(=O)CCCC(F)(F)F.
What is the InChIKey of 1-(ethylamino)-7,7,7-trifluoro-2-methylheptan-3-one?
The InChIKey is NDKPGLVLLWSCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-3-14-7-8(2)9(15)5-4-6-10(11,12)13/h8,14H,3-7H2,1-2H3.
What are the key properties of 1-(ethylamino)-7,7,7-trifluoro-2-methylheptan-3-one?
1-(ethylamino)-7,7,7-trifluoro-2-methylheptan-3-one has a molecular weight of 225.25 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-7,7,7-trifluoro-2-methylheptan-3-one is sourced from PubChem (CID 116565331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).