4-(oxolan-2-yl)-1-(2,2,3,3-tetrafluoropropoxy)butan-2-amine

C11H19F4NO2 — CID 103474748

IUPAC4-(oxolan-2-yl)-1-(2,2,3,3-tetrafluoropropoxy)butan-2-amine
SMILESNC(CCC1CCCO1)COCC(F)(F)C(F)F
InChIInChI=1S/C11H19F4NO2/c12-10(13)11(14,15)7-17-6-8(16)3-4-9-2-1-5-18-9/h8-10H,1-7,16H2
InChIKeyFSBUIIXGHBTJGO-UHFFFAOYSA-N
MW273.27 g/mol
LogP2.19
Rot. Bonds8

About 4-(oxolan-2-yl)-1-(2,2,3,3-tetrafluoropropoxy)butan-2-amine

4-(oxolan-2-yl)-1-(2,2,3,3-tetrafluoropropoxy)butan-2-amine (PubChem CID 103474748) has the molecular formula C11H19F4NO2 and a molecular weight of 273.27 g/mol. Its IUPAC name is 4-(oxolan-2-yl)-1-(2,2,3,3-tetrafluoropropoxy)butan-2-amine.

Molecular Properties

Compound Name4-(oxolan-2-yl)-1-(2,2,3,3-tetrafluoropropoxy)butan-2-amine
PubChem CID103474748
Molecular FormulaC11H19F4NO2
Molecular Weight273.27 g/mol
Exact Mass273.14
IUPAC Name4-(oxolan-2-yl)-1-(2,2,3,3-tetrafluoropropoxy)butan-2-amine
SMILESNC(CCC1CCCO1)COCC(F)(F)C(F)F
InChIInChI=1S/C11H19F4NO2/c12-10(13)11(14,15)7-17-6-8(16)3-4-9-2-1-5-18-9/h8-10H,1-7,16H2
InChIKeyFSBUIIXGHBTJGO-UHFFFAOYSA-N
XLogP2.19
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.27
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-yl)-1-(2,2,3,3-tetrafluoropropoxy)butan-2-amine?
The IUPAC name of 4-(oxolan-2-yl)-1-(2,2,3,3-tetrafluoropropoxy)butan-2-amine (CID 103474748) is 4-(oxolan-2-yl)-1-(2,2,3,3-tetrafluoropropoxy)butan-2-amine.
What is the SMILES notation for 4-(oxolan-2-yl)-1-(2,2,3,3-tetrafluoropropoxy)butan-2-amine?
The canonical SMILES for 4-(oxolan-2-yl)-1-(2,2,3,3-tetrafluoropropoxy)butan-2-amine is NC(CCC1CCCO1)COCC(F)(F)C(F)F.
What is the InChIKey of 4-(oxolan-2-yl)-1-(2,2,3,3-tetrafluoropropoxy)butan-2-amine?
The InChIKey is FSBUIIXGHBTJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F4NO2/c12-10(13)11(14,15)7-17-6-8(16)3-4-9-2-1-5-18-9/h8-10H,1-7,16H2.
What are the key properties of 4-(oxolan-2-yl)-1-(2,2,3,3-tetrafluoropropoxy)butan-2-amine?
4-(oxolan-2-yl)-1-(2,2,3,3-tetrafluoropropoxy)butan-2-amine has a molecular weight of 273.27 g/mol, XLogP of 2.19, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxolan-2-yl)-1-(2,2,3,3-tetrafluoropropoxy)butan-2-amine is sourced from PubChem (CID 103474748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).