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

C10H20F3NO2 — CID 106665129

IUPAC4,4,4-trifluoro-3-(3-methoxy-3-methylbutoxy)butan-1-amine
SMILESCOC(C)(C)CCOC(CCN)C(F)(F)F
InChIInChI=1S/C10H20F3NO2/c1-9(2,15-3)5-7-16-8(4-6-14)10(11,12)13/h8H,4-7,14H2,1-3H3
InChIKeyGTKMICWHCSFQPR-UHFFFAOYSA-N
MW243.27 g/mol
LogP2.10
Rot. Bonds7

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

4,4,4-trifluoro-3-(3-methoxy-3-methylbutoxy)butan-1-amine (PubChem CID 106665129) has the molecular formula C10H20F3NO2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-(3-methoxy-3-methylbutoxy)butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-3-(3-methoxy-3-methylbutoxy)butan-1-amine
PubChem CID106665129
Molecular FormulaC10H20F3NO2
Molecular Weight243.27 g/mol
Exact Mass243.14
IUPAC Name4,4,4-trifluoro-3-(3-methoxy-3-methylbutoxy)butan-1-amine
SMILESCOC(C)(C)CCOC(CCN)C(F)(F)F
InChIInChI=1S/C10H20F3NO2/c1-9(2,15-3)5-7-16-8(4-6-14)10(11,12)13/h8H,4-7,14H2,1-3H3
InChIKeyGTKMICWHCSFQPR-UHFFFAOYSA-N
XLogP2.10
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-(3-methoxy-3-methylbutoxy)butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-3-(3-methoxy-3-methylbutoxy)butan-1-amine (CID 106665129) is 4,4,4-trifluoro-3-(3-methoxy-3-methylbutoxy)butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-3-(3-methoxy-3-methylbutoxy)butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-3-(3-methoxy-3-methylbutoxy)butan-1-amine is COC(C)(C)CCOC(CCN)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-3-(3-methoxy-3-methylbutoxy)butan-1-amine?
The InChIKey is GTKMICWHCSFQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO2/c1-9(2,15-3)5-7-16-8(4-6-14)10(11,12)13/h8H,4-7,14H2,1-3H3.
What are the key properties of 4,4,4-trifluoro-3-(3-methoxy-3-methylbutoxy)butan-1-amine?
4,4,4-trifluoro-3-(3-methoxy-3-methylbutoxy)butan-1-amine has a molecular weight of 243.27 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-(3-methoxy-3-methylbutoxy)butan-1-amine is sourced from PubChem (CID 106665129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).