3-methoxy-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine

C9H16F3NO — CID 104584522

IUPAC3-methoxy-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine
SMILESCOC1CC(NC(C)CC(F)(F)F)C1
InChIInChI=1S/C9H16F3NO/c1-6(5-9(10,11)12)13-7-3-8(4-7)14-2/h6-8,13H,3-5H2,1-2H3
InChIKeyDSVOYKAOEXPUHL-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.09
Rot. Bonds4

About 3-methoxy-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine

3-methoxy-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine (PubChem CID 104584522) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 3-methoxy-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine
PubChem CID104584522
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name3-methoxy-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine
SMILESCOC1CC(NC(C)CC(F)(F)F)C1
InChIInChI=1S/C9H16F3NO/c1-6(5-9(10,11)12)13-7-3-8(4-7)14-2/h6-8,13H,3-5H2,1-2H3
InChIKeyDSVOYKAOEXPUHL-UHFFFAOYSA-N
XLogP2.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-N-(4,4,4-trifluorobutan-2-yl)cyclohexan-1-amine
CID 104860348
3-methoxy-N-pent-4-yn-2-ylcyclobutan-1-amine
CID 104871826
3-methoxy-N-(4-methylsulfanylbutan-2-yl)cyclobutan-1-amine
CID 104871600
N-(4,4,4-trifluorobutan-2-yl)thian-4-amine
CID 103901644
N-[1-(4-fluorophenyl)propan-2-yl]-3-methoxycyclobutan-1-amine
CID 113429558
3-(3-methoxyphenyl)-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine
CID 103902325
3-(4-bromophenyl)-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine
CID 107167855
3-(2-methylphenyl)-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine
CID 103902696
3-methylsulfanyl-N-(4,4,4-trifluorobutan-2-yl)cyclohexan-1-amine
CID 115721245
N-(4,4,4-trifluorobutan-2-yl)adamantan-2-amine
CID 113260616
N-(4-methoxy-4-methylpentan-2-yl)-3,5-dimethylcyclohexan-1-amine
CID 64732467
N-(1-cyclopentylethyl)-3-methoxycyclobutan-1-amine
CID 104584547

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine?
The IUPAC name of 3-methoxy-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine (CID 104584522) is 3-methoxy-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine.
What is the SMILES notation for 3-methoxy-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine?
The canonical SMILES for 3-methoxy-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine is COC1CC(NC(C)CC(F)(F)F)C1.
What is the InChIKey of 3-methoxy-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine?
The InChIKey is DSVOYKAOEXPUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-6(5-9(10,11)12)13-7-3-8(4-7)14-2/h6-8,13H,3-5H2,1-2H3.
What are the key properties of 3-methoxy-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine?
3-methoxy-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine has a molecular weight of 211.23 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine is sourced from PubChem (CID 104584522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).