N-methyl-3-(trifluoromethoxy)butan-1-amine

C6H12F3NO — CID 178126926

IUPACN-methyl-3-(trifluoromethoxy)butan-1-amine
SMILESCNCCC(C)OC(F)(F)F
InChIInChI=1S/C6H12F3NO/c1-5(3-4-10-2)11-6(7,8)9/h5,10H,3-4H2,1-2H3
InChIKeyQZBUZEBISYPZQY-UHFFFAOYSA-N
MW171.16 g/mol
LogP1.52
Rot. Bonds4

About N-methyl-3-(trifluoromethoxy)butan-1-amine

N-methyl-3-(trifluoromethoxy)butan-1-amine (PubChem CID 178126926) has the molecular formula C6H12F3NO and a molecular weight of 171.16 g/mol. Its IUPAC name is N-methyl-3-(trifluoromethoxy)butan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(trifluoromethoxy)butan-1-amine
PubChem CID178126926
Molecular FormulaC6H12F3NO
Molecular Weight171.16 g/mol
Exact Mass171.09
IUPAC NameN-methyl-3-(trifluoromethoxy)butan-1-amine
SMILESCNCCC(C)OC(F)(F)F
InChIInChI=1S/C6H12F3NO/c1-5(3-4-10-2)11-6(7,8)9/h5,10H,3-4H2,1-2H3
InChIKeyQZBUZEBISYPZQY-UHFFFAOYSA-N
XLogP1.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,4,4-trifluoro-N,3-dimethylbutan-1-amine
CID 83682052
2-(trifluoromethoxy)undecane
CID 150054524
ethane;3-ethoxy-N-methylbutan-1-amine
CID 172587182
(3R)-3-fluoro-N-methylbutan-1-amine
CID 126693109
3,4,4,4-tetrafluoro-N-methylbutan-1-amine
CID 84731464
ethane;3-fluoro-N-methylbutan-1-amine
CID 144771088
1,1,1,2-tetrafluoro-4-(trifluoromethoxy)pentane
CID 162348184
3-cyclobutyloxy-N-methylbutan-1-amine
CID 114997103
(3R)-3-(trifluoromethoxy)butanoic acid
CID 107876657
3-(trifluoromethoxy)butanoic acid
CID 87118364
ethane;N,3,4-trimethylhexan-1-amine
CID 145138668
4,4,4-trifluoro-3-(4-fluorophenyl)-N-methylbutan-1-amine
CID 83918946

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(trifluoromethoxy)butan-1-amine?
The IUPAC name of N-methyl-3-(trifluoromethoxy)butan-1-amine (CID 178126926) is N-methyl-3-(trifluoromethoxy)butan-1-amine.
What is the SMILES notation for N-methyl-3-(trifluoromethoxy)butan-1-amine?
The canonical SMILES for N-methyl-3-(trifluoromethoxy)butan-1-amine is CNCCC(C)OC(F)(F)F.
What is the InChIKey of N-methyl-3-(trifluoromethoxy)butan-1-amine?
The InChIKey is QZBUZEBISYPZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3NO/c1-5(3-4-10-2)11-6(7,8)9/h5,10H,3-4H2,1-2H3.
What are the key properties of N-methyl-3-(trifluoromethoxy)butan-1-amine?
N-methyl-3-(trifluoromethoxy)butan-1-amine has a molecular weight of 171.16 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(trifluoromethoxy)butan-1-amine is sourced from PubChem (CID 178126926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).