4-amino-1,1,1-trifluoro-2-methylbutan-2-ol

C5H10F3NO — CID 79006473

IUPAC4-amino-1,1,1-trifluoro-2-methylbutan-2-ol
SMILESCC(O)(CCN)C(F)(F)F
InChIInChI=1S/C5H10F3NO/c1-4(10,2-3-9)5(6,7)8/h10H,2-3,9H2,1H3
InChIKeyPDNLXDMMMJEFKE-UHFFFAOYSA-N
MW157.13 g/mol
LogP0.65
Rot. Bonds2

About 4-amino-1,1,1-trifluoro-2-methylbutan-2-ol

4-amino-1,1,1-trifluoro-2-methylbutan-2-ol (PubChem CID 79006473) has the molecular formula C5H10F3NO and a molecular weight of 157.13 g/mol. Its IUPAC name is 4-amino-1,1,1-trifluoro-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-amino-1,1,1-trifluoro-2-methylbutan-2-ol
PubChem CID79006473
Molecular FormulaC5H10F3NO
Molecular Weight157.13 g/mol
Exact Mass157.07
IUPAC Name4-amino-1,1,1-trifluoro-2-methylbutan-2-ol
SMILESCC(O)(CCN)C(F)(F)F
InChIInChI=1S/C5H10F3NO/c1-4(10,2-3-9)5(6,7)8/h10H,2-3,9H2,1H3
InChIKeyPDNLXDMMMJEFKE-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 4-amino-1,1,1-trifluoro-2-methylbutan-2-ol?
The IUPAC name of 4-amino-1,1,1-trifluoro-2-methylbutan-2-ol (CID 79006473) is 4-amino-1,1,1-trifluoro-2-methylbutan-2-ol.
What is the SMILES notation for 4-amino-1,1,1-trifluoro-2-methylbutan-2-ol?
The canonical SMILES for 4-amino-1,1,1-trifluoro-2-methylbutan-2-ol is CC(O)(CCN)C(F)(F)F.
What is the InChIKey of 4-amino-1,1,1-trifluoro-2-methylbutan-2-ol?
The InChIKey is PDNLXDMMMJEFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO/c1-4(10,2-3-9)5(6,7)8/h10H,2-3,9H2,1H3.
What are the key properties of 4-amino-1,1,1-trifluoro-2-methylbutan-2-ol?
4-amino-1,1,1-trifluoro-2-methylbutan-2-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 4-amino-1,1,1-trifluoro-2-methylbutan-2-ol is sourced from PubChem (CID 79006473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).