4-(trifluoromethoxy)butan-2-amine

C5H10F3NO — CID 121237478

IUPAC4-(trifluoromethoxy)butan-2-amine
SMILESCC(N)CCOC(F)(F)F
InChIInChI=1S/C5H10F3NO/c1-4(9)2-3-10-5(6,7)8/h4H,2-3,9H2,1H3
InChIKeyYISJHWHOTSNABT-UHFFFAOYSA-N
MW157.13 g/mol
LogP1.26
Rot. Bonds3

About 4-(trifluoromethoxy)butan-2-amine

4-(trifluoromethoxy)butan-2-amine (PubChem CID 121237478) has the molecular formula C5H10F3NO and a molecular weight of 157.13 g/mol. Its IUPAC name is 4-(trifluoromethoxy)butan-2-amine.

Molecular Properties

Compound Name4-(trifluoromethoxy)butan-2-amine
PubChem CID121237478
Molecular FormulaC5H10F3NO
Molecular Weight157.13 g/mol
Exact Mass157.07
IUPAC Name4-(trifluoromethoxy)butan-2-amine
SMILESCC(N)CCOC(F)(F)F
InChIInChI=1S/C5H10F3NO/c1-4(9)2-3-10-5(6,7)8/h4H,2-3,9H2,1H3
InChIKeyYISJHWHOTSNABT-UHFFFAOYSA-N
XLogP1.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.13
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethoxy)butan-2-amine?
The IUPAC name of 4-(trifluoromethoxy)butan-2-amine (CID 121237478) is 4-(trifluoromethoxy)butan-2-amine.
What is the SMILES notation for 4-(trifluoromethoxy)butan-2-amine?
The canonical SMILES for 4-(trifluoromethoxy)butan-2-amine is CC(N)CCOC(F)(F)F.
What is the InChIKey of 4-(trifluoromethoxy)butan-2-amine?
The InChIKey is YISJHWHOTSNABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO/c1-4(9)2-3-10-5(6,7)8/h4H,2-3,9H2,1H3.
What are the key properties of 4-(trifluoromethoxy)butan-2-amine?
4-(trifluoromethoxy)butan-2-amine has a molecular weight of 157.13 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethoxy)butan-2-amine is sourced from PubChem (CID 121237478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).