7,7,7-trifluoro-2-methyl-2-morpholin-4-ylheptan-3-one

C12H20F3NO2 — CID 113326846

IUPAC7,7,7-trifluoro-2-methyl-2-morpholin-4-ylheptan-3-one
SMILESCC(C)(C(=O)CCCC(F)(F)F)N1CCOCC1
InChIInChI=1S/C12H20F3NO2/c1-11(2,16-6-8-18-9-7-16)10(17)4-3-5-12(13,14)15/h3-9H2,1-2H3
InChIKeyIKVKSGKLFRBVSD-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.40
Rot. Bonds5

About 7,7,7-trifluoro-2-methyl-2-morpholin-4-ylheptan-3-one

7,7,7-trifluoro-2-methyl-2-morpholin-4-ylheptan-3-one (PubChem CID 113326846) has the molecular formula C12H20F3NO2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 7,7,7-trifluoro-2-methyl-2-morpholin-4-ylheptan-3-one.

Molecular Properties

Compound Name7,7,7-trifluoro-2-methyl-2-morpholin-4-ylheptan-3-one
PubChem CID113326846
Molecular FormulaC12H20F3NO2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC Name7,7,7-trifluoro-2-methyl-2-morpholin-4-ylheptan-3-one
SMILESCC(C)(C(=O)CCCC(F)(F)F)N1CCOCC1
InChIInChI=1S/C12H20F3NO2/c1-11(2,16-6-8-18-9-7-16)10(17)4-3-5-12(13,14)15/h3-9H2,1-2H3
InChIKeyIKVKSGKLFRBVSD-UHFFFAOYSA-N
XLogP2.40
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7,7,7-trifluoro-2-methyl-2-morpholin-4-ylheptan-3-amine
CID 113327114
2-methyl-2-morpholin-4-ylpropanoyl iodide
CID 155067930
2-methyl-2-morpholin-4-ylpropanoate
CID 25219445
7,7,7-trifluoro-2-methyl-2-(methylamino)heptan-3-one
CID 116566472
2,5-dimethyl-2-morpholin-4-yloctan-3-one
CID 79045428
1,1,1-trifluoro-5-methyl-5-morpholin-4-ylheptan-4-ol
CID 79065246
3-methyl-3-morpholin-4-yldecan-4-one
CID 79065458
N,2-dimethyl-2-morpholin-4-ylpropanamide
CID 59526666
N-hydroxy-2-methyl-2-morpholin-4-ylpropanamide
CID 127000284
2-methyl-2-pyrrolidin-1-ylundecan-3-one
CID 79056598
ethyl 2-methyl-2-morpholin-4-ylpropanoate
CID 13022015
1-methoxy-5-methyl-5-morpholin-4-ylheptan-4-one
CID 114854047

Frequently Asked Questions

What is the IUPAC name of 7,7,7-trifluoro-2-methyl-2-morpholin-4-ylheptan-3-one?
The IUPAC name of 7,7,7-trifluoro-2-methyl-2-morpholin-4-ylheptan-3-one (CID 113326846) is 7,7,7-trifluoro-2-methyl-2-morpholin-4-ylheptan-3-one.
What is the SMILES notation for 7,7,7-trifluoro-2-methyl-2-morpholin-4-ylheptan-3-one?
The canonical SMILES for 7,7,7-trifluoro-2-methyl-2-morpholin-4-ylheptan-3-one is CC(C)(C(=O)CCCC(F)(F)F)N1CCOCC1.
What is the InChIKey of 7,7,7-trifluoro-2-methyl-2-morpholin-4-ylheptan-3-one?
The InChIKey is IKVKSGKLFRBVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO2/c1-11(2,16-6-8-18-9-7-16)10(17)4-3-5-12(13,14)15/h3-9H2,1-2H3.
What are the key properties of 7,7,7-trifluoro-2-methyl-2-morpholin-4-ylheptan-3-one?
7,7,7-trifluoro-2-methyl-2-morpholin-4-ylheptan-3-one has a molecular weight of 267.29 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,7-trifluoro-2-methyl-2-morpholin-4-ylheptan-3-one is sourced from PubChem (CID 113326846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).