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

C10H18F3NO — CID 65163907

IUPAC3,3,3-trifluoro-N-[3-(oxolan-2-yl)propyl]propan-1-amine
SMILESFC(F)(F)CCNCCCC1CCCO1
InChIInChI=1S/C10H18F3NO/c11-10(12,13)5-7-14-6-1-3-9-4-2-8-15-9/h9,14H,1-8H2
InChIKeyYGSMQCOUWITSCL-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.49
Rot. Bonds6

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

3,3,3-trifluoro-N-[3-(oxolan-2-yl)propyl]propan-1-amine (PubChem CID 65163907) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[3-(oxolan-2-yl)propyl]propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[3-(oxolan-2-yl)propyl]propan-1-amine
PubChem CID65163907
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name3,3,3-trifluoro-N-[3-(oxolan-2-yl)propyl]propan-1-amine
SMILESFC(F)(F)CCNCCCC1CCCO1
InChIInChI=1S/C10H18F3NO/c11-10(12,13)5-7-14-6-1-3-9-4-2-8-15-9/h9,14H,1-8H2
InChIKeyYGSMQCOUWITSCL-UHFFFAOYSA-N
XLogP2.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[3-(oxolan-2-yl)propyl]propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-N-[3-(oxolan-2-yl)propyl]propan-1-amine (CID 65163907) is 3,3,3-trifluoro-N-[3-(oxolan-2-yl)propyl]propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-N-[3-(oxolan-2-yl)propyl]propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-N-[3-(oxolan-2-yl)propyl]propan-1-amine is FC(F)(F)CCNCCCC1CCCO1.
What is the InChIKey of 3,3,3-trifluoro-N-[3-(oxolan-2-yl)propyl]propan-1-amine?
The InChIKey is YGSMQCOUWITSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c11-10(12,13)5-7-14-6-1-3-9-4-2-8-15-9/h9,14H,1-8H2.
What are the key properties of 3,3,3-trifluoro-N-[3-(oxolan-2-yl)propyl]propan-1-amine?
3,3,3-trifluoro-N-[3-(oxolan-2-yl)propyl]propan-1-amine has a molecular weight of 225.25 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[3-(oxolan-2-yl)propyl]propan-1-amine is sourced from PubChem (CID 65163907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).