4,4,4-trifluoro-3-methoxy-N-methylbutan-1-amine

C6H12F3NO — CID 83827235

IUPAC4,4,4-trifluoro-3-methoxy-N-methylbutan-1-amine
SMILESCNCCC(OC)C(F)(F)F
InChIInChI=1S/C6H12F3NO/c1-10-4-3-5(11-2)6(7,8)9/h5,10H,3-4H2,1-2H3
InChIKeySUJFBANWDDIMIE-UHFFFAOYSA-N
MW171.16 g/mol
LogP1.17
Rot. Bonds4

About 4,4,4-trifluoro-3-methoxy-N-methylbutan-1-amine

4,4,4-trifluoro-3-methoxy-N-methylbutan-1-amine (PubChem CID 83827235) has the molecular formula C6H12F3NO and a molecular weight of 171.16 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-methoxy-N-methylbutan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-3-methoxy-N-methylbutan-1-amine
PubChem CID83827235
Molecular FormulaC6H12F3NO
Molecular Weight171.16 g/mol
Exact Mass171.09
IUPAC Name4,4,4-trifluoro-3-methoxy-N-methylbutan-1-amine
SMILESCNCCC(OC)C(F)(F)F
InChIInChI=1S/C6H12F3NO/c1-10-4-3-5(11-2)6(7,8)9/h5,10H,3-4H2,1-2H3
InChIKeySUJFBANWDDIMIE-UHFFFAOYSA-N
XLogP1.17
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 ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,4,4-Trifluoro-3-methoxy-1-butanamine
CID 21072523
1,1,1-Trifluoro-4-methylamino-2-butanol
CID 21928328
3-methoxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 43153293
N-methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 61491003
N-methyl-3-(trifluoromethoxy)propan-1-amine
CID 64984809
N-methyl-3-(2,2,2-trifluoroethoxy)cyclobutan-1-amine
CID 66356960
3,3-Difluoro-4-methoxypiperidine
CID 68321526
3-(2,2-difluoroethoxy)-N-methylpropan-1-amine
CID 82004246
3-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 82670782
Methyl(3,3,3-trifluoro-2-methoxypropyl)amine
CID 83826522
3-(difluoromethoxy)-N-methylpropan-1-amine
CID 84716193
(R)-1,1,1-Trifluoro-4-methylamino-2-butanol
CID 86594857

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-methoxy-N-methylbutan-1-amine?
The IUPAC name of 4,4,4-trifluoro-3-methoxy-N-methylbutan-1-amine (CID 83827235) is 4,4,4-trifluoro-3-methoxy-N-methylbutan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-3-methoxy-N-methylbutan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-3-methoxy-N-methylbutan-1-amine is CNCCC(OC)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-3-methoxy-N-methylbutan-1-amine?
The InChIKey is SUJFBANWDDIMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3NO/c1-10-4-3-5(11-2)6(7,8)9/h5,10H,3-4H2,1-2H3.
What are the key properties of 4,4,4-trifluoro-3-methoxy-N-methylbutan-1-amine?
4,4,4-trifluoro-3-methoxy-N-methylbutan-1-amine has a molecular weight of 171.16 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-methoxy-N-methylbutan-1-amine is sourced from PubChem (CID 83827235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).