1-[1-(dimethylamino)-4-methylcyclohexyl]-5,5,5-trifluoropentan-1-one

C14H24F3NO — CID 113326854

IUPAC1-[1-(dimethylamino)-4-methylcyclohexyl]-5,5,5-trifluoropentan-1-one
SMILESCC1CCC(C(=O)CCCC(F)(F)F)(N(C)C)CC1
InChIInChI=1S/C14H24F3NO/c1-11-6-9-13(10-7-11,18(2)3)12(19)5-4-8-14(15,16)17/h11H,4-10H2,1-3H3
InChIKeyZSDCJYMRZUVLRV-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.80
Rot. Bonds5

About 1-[1-(dimethylamino)-4-methylcyclohexyl]-5,5,5-trifluoropentan-1-one

1-[1-(dimethylamino)-4-methylcyclohexyl]-5,5,5-trifluoropentan-1-one (PubChem CID 113326854) has the molecular formula C14H24F3NO and a molecular weight of 279.35 g/mol. Its IUPAC name is 1-[1-(dimethylamino)-4-methylcyclohexyl]-5,5,5-trifluoropentan-1-one.

Molecular Properties

Compound Name1-[1-(dimethylamino)-4-methylcyclohexyl]-5,5,5-trifluoropentan-1-one
PubChem CID113326854
Molecular FormulaC14H24F3NO
Molecular Weight279.35 g/mol
Exact Mass279.18
IUPAC Name1-[1-(dimethylamino)-4-methylcyclohexyl]-5,5,5-trifluoropentan-1-one
SMILESCC1CCC(C(=O)CCCC(F)(F)F)(N(C)C)CC1
InChIInChI=1S/C14H24F3NO/c1-11-6-9-13(10-7-11,18(2)3)12(19)5-4-8-14(15,16)17/h11H,4-10H2,1-3H3
InChIKeyZSDCJYMRZUVLRV-UHFFFAOYSA-N
XLogP3.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylamino)-4-methylcyclohexyl]-5,5,5-trifluoropentan-1-one?
The IUPAC name of 1-[1-(dimethylamino)-4-methylcyclohexyl]-5,5,5-trifluoropentan-1-one (CID 113326854) is 1-[1-(dimethylamino)-4-methylcyclohexyl]-5,5,5-trifluoropentan-1-one.
What is the SMILES notation for 1-[1-(dimethylamino)-4-methylcyclohexyl]-5,5,5-trifluoropentan-1-one?
The canonical SMILES for 1-[1-(dimethylamino)-4-methylcyclohexyl]-5,5,5-trifluoropentan-1-one is CC1CCC(C(=O)CCCC(F)(F)F)(N(C)C)CC1.
What is the InChIKey of 1-[1-(dimethylamino)-4-methylcyclohexyl]-5,5,5-trifluoropentan-1-one?
The InChIKey is ZSDCJYMRZUVLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO/c1-11-6-9-13(10-7-11,18(2)3)12(19)5-4-8-14(15,16)17/h11H,4-10H2,1-3H3.
What are the key properties of 1-[1-(dimethylamino)-4-methylcyclohexyl]-5,5,5-trifluoropentan-1-one?
1-[1-(dimethylamino)-4-methylcyclohexyl]-5,5,5-trifluoropentan-1-one has a molecular weight of 279.35 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylamino)-4-methylcyclohexyl]-5,5,5-trifluoropentan-1-one is sourced from PubChem (CID 113326854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).