4-(oxolan-2-yl)-1-(2,2,2-trifluoroethoxy)butan-2-amine

C10H18F3NO2 — CID 103215538

IUPAC4-(oxolan-2-yl)-1-(2,2,2-trifluoroethoxy)butan-2-amine
SMILESNC(CCC1CCCO1)COCC(F)(F)F
InChIInChI=1S/C10H18F3NO2/c11-10(12,13)7-15-6-8(14)3-4-9-2-1-5-16-9/h8-9H,1-7,14H2
InChIKeyDROFVZPTJYSGQF-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.85
Rot. Bonds6

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

4-(oxolan-2-yl)-1-(2,2,2-trifluoroethoxy)butan-2-amine (PubChem CID 103215538) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 4-(oxolan-2-yl)-1-(2,2,2-trifluoroethoxy)butan-2-amine.

Molecular Properties

Compound Name4-(oxolan-2-yl)-1-(2,2,2-trifluoroethoxy)butan-2-amine
PubChem CID103215538
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name4-(oxolan-2-yl)-1-(2,2,2-trifluoroethoxy)butan-2-amine
SMILESNC(CCC1CCCO1)COCC(F)(F)F
InChIInChI=1S/C10H18F3NO2/c11-10(12,13)7-15-6-8(14)3-4-9-2-1-5-16-9/h8-9H,1-7,14H2
InChIKeyDROFVZPTJYSGQF-UHFFFAOYSA-N
XLogP1.85
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(oxolan-2-yl)-1-(2,2,2-trifluoroethoxy)butan-2-amine?
The IUPAC name of 4-(oxolan-2-yl)-1-(2,2,2-trifluoroethoxy)butan-2-amine (CID 103215538) is 4-(oxolan-2-yl)-1-(2,2,2-trifluoroethoxy)butan-2-amine.
What is the SMILES notation for 4-(oxolan-2-yl)-1-(2,2,2-trifluoroethoxy)butan-2-amine?
The canonical SMILES for 4-(oxolan-2-yl)-1-(2,2,2-trifluoroethoxy)butan-2-amine is NC(CCC1CCCO1)COCC(F)(F)F.
What is the InChIKey of 4-(oxolan-2-yl)-1-(2,2,2-trifluoroethoxy)butan-2-amine?
The InChIKey is DROFVZPTJYSGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c11-10(12,13)7-15-6-8(14)3-4-9-2-1-5-16-9/h8-9H,1-7,14H2.
What are the key properties of 4-(oxolan-2-yl)-1-(2,2,2-trifluoroethoxy)butan-2-amine?
4-(oxolan-2-yl)-1-(2,2,2-trifluoroethoxy)butan-2-amine has a molecular weight of 241.25 g/mol, XLogP of 1.85, 6 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-(2,2,2-trifluoroethoxy)butan-2-amine is sourced from PubChem (CID 103215538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).