7,7,7-trifluoro-2-methyl-2-(methylamino)heptan-3-one

C9H16F3NO — CID 116566472

IUPAC7,7,7-trifluoro-2-methyl-2-(methylamino)heptan-3-one
SMILESCNC(C)(C)C(=O)CCCC(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-8(2,13-3)7(14)5-4-6-9(10,11)12/h13H,4-6H2,1-3H3
InChIKeyPLRGNORWIUQKIV-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.29
Rot. Bonds5

About 7,7,7-trifluoro-2-methyl-2-(methylamino)heptan-3-one

7,7,7-trifluoro-2-methyl-2-(methylamino)heptan-3-one (PubChem CID 116566472) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 7,7,7-trifluoro-2-methyl-2-(methylamino)heptan-3-one.

Molecular Properties

Compound Name7,7,7-trifluoro-2-methyl-2-(methylamino)heptan-3-one
PubChem CID116566472
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name7,7,7-trifluoro-2-methyl-2-(methylamino)heptan-3-one
SMILESCNC(C)(C)C(=O)CCCC(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-8(2,13-3)7(14)5-4-6-9(10,11)12/h13H,4-6H2,1-3H3
InChIKeyPLRGNORWIUQKIV-UHFFFAOYSA-N
XLogP2.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-(methylamino)heptan-3-one
CID 116566324
8,8,8-trifluoro-3-methoxy-3-methyloctan-4-one
CID 116746532
2-amino-8,8,8-trifluoro-2-methyloctan-4-one
CID 116581149
7,7,7-trifluoro-2-methyl-2-morpholin-4-ylheptan-3-one
CID 113326846
1-hydroxy-3-methyl-3-(methylamino)butan-2-one
CID 155655031
1-chloro-3-methyl-3-(methylamino)butan-2-one
CID 159365192
5,5-difluorohexanoic acid
CID 53418167
1-(ethylamino)-7,7,7-trifluoro-2-methylheptan-3-one
CID 116565331
2-methyl-2-(methylamino)-5-(4,4,4-trifluorobutoxy)pentanoic acid
CID 82793311
5,5,5-trifluoro-N-(methoxymethyl)pentanamide
CID 87257308
(E)-8,8,8-trifluorooct-2-en-4-one
CID 103453511
7,7,7-trifluoro-1-(propan-2-ylamino)heptan-3-one
CID 116556500

Frequently Asked Questions

What is the IUPAC name of 7,7,7-trifluoro-2-methyl-2-(methylamino)heptan-3-one?
The IUPAC name of 7,7,7-trifluoro-2-methyl-2-(methylamino)heptan-3-one (CID 116566472) is 7,7,7-trifluoro-2-methyl-2-(methylamino)heptan-3-one.
What is the SMILES notation for 7,7,7-trifluoro-2-methyl-2-(methylamino)heptan-3-one?
The canonical SMILES for 7,7,7-trifluoro-2-methyl-2-(methylamino)heptan-3-one is CNC(C)(C)C(=O)CCCC(F)(F)F.
What is the InChIKey of 7,7,7-trifluoro-2-methyl-2-(methylamino)heptan-3-one?
The InChIKey is PLRGNORWIUQKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-8(2,13-3)7(14)5-4-6-9(10,11)12/h13H,4-6H2,1-3H3.
What are the key properties of 7,7,7-trifluoro-2-methyl-2-(methylamino)heptan-3-one?
7,7,7-trifluoro-2-methyl-2-(methylamino)heptan-3-one has a molecular weight of 211.23 g/mol, XLogP of 2.29, 5 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-2-(methylamino)heptan-3-one is sourced from PubChem (CID 116566472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).