4,4,4-trifluoro-2-methoxy-2-methylbutan-1-amine

C6H12F3NO — CID 105434672

IUPAC4,4,4-trifluoro-2-methoxy-2-methylbutan-1-amine
SMILESCOC(C)(CN)CC(F)(F)F
InChIInChI=1S/C6H12F3NO/c1-5(4-10,11-2)3-6(7,8)9/h3-4,10H2,1-2H3
InChIKeyBLUOORNKBVNMFK-UHFFFAOYSA-N
MW171.16 g/mol
LogP1.30
Rot. Bonds3

About 4,4,4-trifluoro-2-methoxy-2-methylbutan-1-amine

4,4,4-trifluoro-2-methoxy-2-methylbutan-1-amine (PubChem CID 105434672) has the molecular formula C6H12F3NO and a molecular weight of 171.16 g/mol. Its IUPAC name is 4,4,4-trifluoro-2-methoxy-2-methylbutan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-2-methoxy-2-methylbutan-1-amine
PubChem CID105434672
Molecular FormulaC6H12F3NO
Molecular Weight171.16 g/mol
Exact Mass171.09
IUPAC Name4,4,4-trifluoro-2-methoxy-2-methylbutan-1-amine
SMILESCOC(C)(CN)CC(F)(F)F
InChIInChI=1S/C6H12F3NO/c1-5(4-10,11-2)3-6(7,8)9/h3-4,10H2,1-2H3
InChIKeyBLUOORNKBVNMFK-UHFFFAOYSA-N
XLogP1.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 62353625
CID 62353625
CID 65053225
CID 65053225
CID 155822428
CID 155822428
CID 58442351
CID 58442351
CID 62355407
CID 62355407
CID 62353233
CID 62353233
CID 62355454
CID 62355454
CID 62355623
CID 62355623
CID 65050968
CID 65050968
CID 65053075
CID 65053075
CID 65053288
CID 65053288
CID 65053391
CID 65053391

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-2-methoxy-2-methylbutan-1-amine?
The IUPAC name of 4,4,4-trifluoro-2-methoxy-2-methylbutan-1-amine (CID 105434672) is 4,4,4-trifluoro-2-methoxy-2-methylbutan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-2-methoxy-2-methylbutan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-2-methoxy-2-methylbutan-1-amine is COC(C)(CN)CC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-2-methoxy-2-methylbutan-1-amine?
The InChIKey is BLUOORNKBVNMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3NO/c1-5(4-10,11-2)3-6(7,8)9/h3-4,10H2,1-2H3.
What are the key properties of 4,4,4-trifluoro-2-methoxy-2-methylbutan-1-amine?
4,4,4-trifluoro-2-methoxy-2-methylbutan-1-amine has a molecular weight of 171.16 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-2-methoxy-2-methylbutan-1-amine is sourced from PubChem (CID 105434672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).