4,4,4-trifluoro-3-methoxy-3-(trifluoromethyl)butan-1-amine

C6H9F6NO — CID 105482747

IUPAC4,4,4-trifluoro-3-methoxy-3-(trifluoromethyl)butan-1-amine
SMILESCOC(CCN)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H9F6NO/c1-14-4(2-3-13,5(7,8)9)6(10,11)12/h2-3,13H2,1H3
InChIKeyBOFFEONXOAZOJW-UHFFFAOYSA-N
MW225.13 g/mol
LogP1.85
Rot. Bonds3

About 4,4,4-trifluoro-3-methoxy-3-(trifluoromethyl)butan-1-amine

4,4,4-trifluoro-3-methoxy-3-(trifluoromethyl)butan-1-amine (PubChem CID 105482747) has the molecular formula C6H9F6NO and a molecular weight of 225.13 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-methoxy-3-(trifluoromethyl)butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-3-methoxy-3-(trifluoromethyl)butan-1-amine
PubChem CID105482747
Molecular FormulaC6H9F6NO
Molecular Weight225.13 g/mol
Exact Mass225.06
IUPAC Name4,4,4-trifluoro-3-methoxy-3-(trifluoromethyl)butan-1-amine
SMILESCOC(CCN)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H9F6NO/c1-14-4(2-3-13,5(7,8)9)6(10,11)12/h2-3,13H2,1H3
InChIKeyBOFFEONXOAZOJW-UHFFFAOYSA-N
XLogP1.85
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.13
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-Methoxy-3-methylbutyl)amine
CID 22273167
(3R)-4-amino-1,1,1,3-tetrafluoro-2-methylbutan-2-ol
CID 90134626
3-[1,1,1,3,3,3-Hexafluoro-2-(trifluoromethyl)propan-2-yl]oxypropan-1-amine
CID 123327372
(2R)-2-fluoro-3-methoxy-3-methylbutan-1-amine
CID 158593338
2-(Difluoromethoxy)-2-methylbutan-1-amine
CID 65053075
4,4,4-Trifluoro-2-methoxy-2-methylbutan-1-amine
CID 105434672
4,4,4-Trifluoro-3-methoxy-3-methylbutan-1-amine
CID 105434675
5,5,5-Trifluoro-3-methoxy-3-methylpentan-1-amine
CID 105441478
3-Ethoxy-4,4,4-trifluoro-3-methylbutan-1-amine
CID 105441483
(2R,3R)-4-amino-1,1,1,3-tetrafluoro-2-methylbutan-2-ol
CID 129392003
(2S,3R)-4-amino-1,1,1,3-tetrafluoro-2-methylbutan-2-ol
CID 129392004
3,3,4,4,4-Pentafluoro-2-methoxy-2-methylbutan-1-amine
CID 165633613

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-methoxy-3-(trifluoromethyl)butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-3-methoxy-3-(trifluoromethyl)butan-1-amine (CID 105482747) is 4,4,4-trifluoro-3-methoxy-3-(trifluoromethyl)butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-3-methoxy-3-(trifluoromethyl)butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-3-methoxy-3-(trifluoromethyl)butan-1-amine is COC(CCN)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-3-methoxy-3-(trifluoromethyl)butan-1-amine?
The InChIKey is BOFFEONXOAZOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F6NO/c1-14-4(2-3-13,5(7,8)9)6(10,11)12/h2-3,13H2,1H3.
What are the key properties of 4,4,4-trifluoro-3-methoxy-3-(trifluoromethyl)butan-1-amine?
4,4,4-trifluoro-3-methoxy-3-(trifluoromethyl)butan-1-amine has a molecular weight of 225.13 g/mol, XLogP of 1.85, 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-3-methoxy-3-(trifluoromethyl)butan-1-amine is sourced from PubChem (CID 105482747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).