N-[2,2,2-trifluoro-1-(oxolan-3-yl)ethyl]propan-2-amine

C9H16F3NO — CID 166470499

IUPACN-[2,2,2-trifluoro-1-(oxolan-3-yl)ethyl]propan-2-amine
SMILESCC(C)NC(C1CCOC1)C(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-6(2)13-8(9(10,11)12)7-3-4-14-5-7/h6-8,13H,3-5H2,1-2H3
InChIKeyJAFKVPRTKWWSMQ-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.95
Rot. Bonds3

About N-[2,2,2-trifluoro-1-(oxolan-3-yl)ethyl]propan-2-amine

N-[2,2,2-trifluoro-1-(oxolan-3-yl)ethyl]propan-2-amine (PubChem CID 166470499) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is N-[2,2,2-trifluoro-1-(oxolan-3-yl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2,2,2-trifluoro-1-(oxolan-3-yl)ethyl]propan-2-amine
PubChem CID166470499
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC NameN-[2,2,2-trifluoro-1-(oxolan-3-yl)ethyl]propan-2-amine
SMILESCC(C)NC(C1CCOC1)C(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-6(2)13-8(9(10,11)12)7-3-4-14-5-7/h6-8,13H,3-5H2,1-2H3
InChIKeyJAFKVPRTKWWSMQ-UHFFFAOYSA-N
XLogP1.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2,2,2-trifluoro-1-(oxolan-3-yl)ethyl]propan-2-amine?
The IUPAC name of N-[2,2,2-trifluoro-1-(oxolan-3-yl)ethyl]propan-2-amine (CID 166470499) is N-[2,2,2-trifluoro-1-(oxolan-3-yl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2,2,2-trifluoro-1-(oxolan-3-yl)ethyl]propan-2-amine?
The canonical SMILES for N-[2,2,2-trifluoro-1-(oxolan-3-yl)ethyl]propan-2-amine is CC(C)NC(C1CCOC1)C(F)(F)F.
What is the InChIKey of N-[2,2,2-trifluoro-1-(oxolan-3-yl)ethyl]propan-2-amine?
The InChIKey is JAFKVPRTKWWSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-6(2)13-8(9(10,11)12)7-3-4-14-5-7/h6-8,13H,3-5H2,1-2H3.
What are the key properties of N-[2,2,2-trifluoro-1-(oxolan-3-yl)ethyl]propan-2-amine?
N-[2,2,2-trifluoro-1-(oxolan-3-yl)ethyl]propan-2-amine has a molecular weight of 211.23 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2,2-trifluoro-1-(oxolan-3-yl)ethyl]propan-2-amine is sourced from PubChem (CID 166470499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).