1-[1-(aminomethyl)cyclohexyl]-6,6,6-trifluorohexan-2-one

C13H22F3NO — CID 116614424

IUPAC1-[1-(aminomethyl)cyclohexyl]-6,6,6-trifluorohexan-2-one
SMILESNCC1(CC(=O)CCCC(F)(F)F)CCCCC1
InChIInChI=1S/C13H22F3NO/c14-13(15,16)8-4-5-11(18)9-12(10-17)6-2-1-3-7-12/h1-10,17H2
InChIKeyCSFCFRJXPSTBGR-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.59
Rot. Bonds6

About 1-[1-(aminomethyl)cyclohexyl]-6,6,6-trifluorohexan-2-one

1-[1-(aminomethyl)cyclohexyl]-6,6,6-trifluorohexan-2-one (PubChem CID 116614424) has the molecular formula C13H22F3NO and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cyclohexyl]-6,6,6-trifluorohexan-2-one.

Molecular Properties

Compound Name1-[1-(aminomethyl)cyclohexyl]-6,6,6-trifluorohexan-2-one
PubChem CID116614424
Molecular FormulaC13H22F3NO
Molecular Weight265.32 g/mol
Exact Mass265.17
IUPAC Name1-[1-(aminomethyl)cyclohexyl]-6,6,6-trifluorohexan-2-one
SMILESNCC1(CC(=O)CCCC(F)(F)F)CCCCC1
InChIInChI=1S/C13H22F3NO/c14-13(15,16)8-4-5-11(18)9-12(10-17)6-2-1-3-7-12/h1-10,17H2
InChIKeyCSFCFRJXPSTBGR-UHFFFAOYSA-N
XLogP3.59
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(aminomethyl)cyclohexyl]hept-6-yn-2-one
CID 116614364
1-(1-aminocyclohexyl)-5,5,5-trifluoropentan-2-one
CID 116579119
9-amino-1,1,1-trifluorononan-5-one
CID 116572046
2-[1-(aminomethyl)cyclohexyl]acetic acid;hydrobromide
CID 66875980
sodium;2-[1-(aminomethyl)cyclohexyl]acetic acid;hydrate
CID 18668043
1-(aminomethyl)-N-(4,4,4-trifluorobutyl)cycloheptane-1-carboxamide
CID 115517722
1-[1-(aminomethyl)cyclohexyl]-3-ethoxypropan-2-one
CID 116614286
1-[1-(aminomethyl)cyclohexyl]-4-methylidenehexan-2-one
CID 116614510
1-[1-(aminomethyl)cyclohexyl]-4-methylhexan-2-one
CID 116614308
[1-(2,2,2-trifluoroethyl)cyclopentyl]methanamine
CID 105439345
2-[1-(aminomethyl)cyclohexyl]-N-methylacetamide
CID 59780086
1-(1-aminocyclohexyl)-4,4,4-trifluorobutan-1-one
CID 116550612

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cyclohexyl]-6,6,6-trifluorohexan-2-one?
The IUPAC name of 1-[1-(aminomethyl)cyclohexyl]-6,6,6-trifluorohexan-2-one (CID 116614424) is 1-[1-(aminomethyl)cyclohexyl]-6,6,6-trifluorohexan-2-one.
What is the SMILES notation for 1-[1-(aminomethyl)cyclohexyl]-6,6,6-trifluorohexan-2-one?
The canonical SMILES for 1-[1-(aminomethyl)cyclohexyl]-6,6,6-trifluorohexan-2-one is NCC1(CC(=O)CCCC(F)(F)F)CCCCC1.
What is the InChIKey of 1-[1-(aminomethyl)cyclohexyl]-6,6,6-trifluorohexan-2-one?
The InChIKey is CSFCFRJXPSTBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO/c14-13(15,16)8-4-5-11(18)9-12(10-17)6-2-1-3-7-12/h1-10,17H2.
What are the key properties of 1-[1-(aminomethyl)cyclohexyl]-6,6,6-trifluorohexan-2-one?
1-[1-(aminomethyl)cyclohexyl]-6,6,6-trifluorohexan-2-one has a molecular weight of 265.32 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)cyclohexyl]-6,6,6-trifluorohexan-2-one is sourced from PubChem (CID 116614424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).