2-(3,3,3-trifluoropropylamino)butan-1-ol

C7H14F3NO — CID 60687126

IUPAC2-(3,3,3-trifluoropropylamino)butan-1-ol
SMILESCCC(CO)NCCC(F)(F)F
InChIInChI=1S/C7H14F3NO/c1-2-6(5-12)11-4-3-7(8,9)10/h6,11-12H,2-5H2,1H3
InChIKeyASDLGQDCGQETHC-UHFFFAOYSA-N
MW185.19 g/mol
LogP1.30
Rot. Bonds5

About 2-(3,3,3-trifluoropropylamino)butan-1-ol

2-(3,3,3-trifluoropropylamino)butan-1-ol (PubChem CID 60687126) has the molecular formula C7H14F3NO and a molecular weight of 185.19 g/mol. Its IUPAC name is 2-(3,3,3-trifluoropropylamino)butan-1-ol.

Molecular Properties

Compound Name2-(3,3,3-trifluoropropylamino)butan-1-ol
PubChem CID60687126
Molecular FormulaC7H14F3NO
Molecular Weight185.19 g/mol
Exact Mass185.10
IUPAC Name2-(3,3,3-trifluoropropylamino)butan-1-ol
SMILESCCC(CO)NCCC(F)(F)F
InChIInChI=1S/C7H14F3NO/c1-2-6(5-12)11-4-3-7(8,9)10/h6,11-12H,2-5H2,1H3
InChIKeyASDLGQDCGQETHC-UHFFFAOYSA-N
XLogP1.30
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3,3-trifluoropropylamino)butan-1-ol?
The IUPAC name of 2-(3,3,3-trifluoropropylamino)butan-1-ol (CID 60687126) is 2-(3,3,3-trifluoropropylamino)butan-1-ol.
What is the SMILES notation for 2-(3,3,3-trifluoropropylamino)butan-1-ol?
The canonical SMILES for 2-(3,3,3-trifluoropropylamino)butan-1-ol is CCC(CO)NCCC(F)(F)F.
What is the InChIKey of 2-(3,3,3-trifluoropropylamino)butan-1-ol?
The InChIKey is ASDLGQDCGQETHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO/c1-2-6(5-12)11-4-3-7(8,9)10/h6,11-12H,2-5H2,1H3.
What are the key properties of 2-(3,3,3-trifluoropropylamino)butan-1-ol?
2-(3,3,3-trifluoropropylamino)butan-1-ol has a molecular weight of 185.19 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,3-trifluoropropylamino)butan-1-ol is sourced from PubChem (CID 60687126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).