3-amino-4,4,4-trifluoro-3-methylbutan-1-ol

C5H10F3NO — CID 130041264

IUPAC3-amino-4,4,4-trifluoro-3-methylbutan-1-ol
SMILESCC(N)(CCO)C(F)(F)F
InChIInChI=1S/C5H10F3NO/c1-4(9,2-3-10)5(6,7)8/h10H,2-3,9H2,1H3
InChIKeyUCOBMSAUHJUTDE-UHFFFAOYSA-N
MW157.13 g/mol
LogP0.65
Rot. Bonds2

About 3-amino-4,4,4-trifluoro-3-methylbutan-1-ol

3-amino-4,4,4-trifluoro-3-methylbutan-1-ol (PubChem CID 130041264) has the molecular formula C5H10F3NO and a molecular weight of 157.13 g/mol. Its IUPAC name is 3-amino-4,4,4-trifluoro-3-methylbutan-1-ol.

Molecular Properties

Compound Name3-amino-4,4,4-trifluoro-3-methylbutan-1-ol
PubChem CID130041264
Molecular FormulaC5H10F3NO
Molecular Weight157.13 g/mol
Exact Mass157.07
IUPAC Name3-amino-4,4,4-trifluoro-3-methylbutan-1-ol
SMILESCC(N)(CCO)C(F)(F)F
InChIInChI=1S/C5H10F3NO/c1-4(9,2-3-10)5(6,7)8/h10H,2-3,9H2,1H3
InChIKeyUCOBMSAUHJUTDE-UHFFFAOYSA-N
XLogP0.65
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.13
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4,4,4-trifluoro-3-methylbutan-1-ol?
The IUPAC name of 3-amino-4,4,4-trifluoro-3-methylbutan-1-ol (CID 130041264) is 3-amino-4,4,4-trifluoro-3-methylbutan-1-ol.
What is the SMILES notation for 3-amino-4,4,4-trifluoro-3-methylbutan-1-ol?
The canonical SMILES for 3-amino-4,4,4-trifluoro-3-methylbutan-1-ol is CC(N)(CCO)C(F)(F)F.
What is the InChIKey of 3-amino-4,4,4-trifluoro-3-methylbutan-1-ol?
The InChIKey is UCOBMSAUHJUTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO/c1-4(9,2-3-10)5(6,7)8/h10H,2-3,9H2,1H3.
What are the key properties of 3-amino-4,4,4-trifluoro-3-methylbutan-1-ol?
3-amino-4,4,4-trifluoro-3-methylbutan-1-ol has a molecular weight of 157.13 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,4,4-trifluoro-3-methylbutan-1-ol is sourced from PubChem (CID 130041264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).