3,3,3-trifluoro-N-(oxolan-2-ylmethyl)propan-1-amine

C8H14F3NO — CID 60684016

IUPAC3,3,3-trifluoro-N-(oxolan-2-ylmethyl)propan-1-amine
SMILESFC(F)(F)CCNCC1CCCO1
InChIInChI=1S/C8H14F3NO/c9-8(10,11)3-4-12-6-7-2-1-5-13-7/h7,12H,1-6H2
InChIKeyVCNRFPXMMADMJQ-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.71
Rot. Bonds4

About 3,3,3-trifluoro-N-(oxolan-2-ylmethyl)propan-1-amine

3,3,3-trifluoro-N-(oxolan-2-ylmethyl)propan-1-amine (PubChem CID 60684016) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(oxolan-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(oxolan-2-ylmethyl)propan-1-amine
PubChem CID60684016
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name3,3,3-trifluoro-N-(oxolan-2-ylmethyl)propan-1-amine
SMILESFC(F)(F)CCNCC1CCCO1
InChIInChI=1S/C8H14F3NO/c9-8(10,11)3-4-12-6-7-2-1-5-13-7/h7,12H,1-6H2
InChIKeyVCNRFPXMMADMJQ-UHFFFAOYSA-N
XLogP1.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.71
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-(oxolan-2-ylmethyl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-N-(oxolan-2-ylmethyl)propan-1-amine (CID 60684016) is 3,3,3-trifluoro-N-(oxolan-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-N-(oxolan-2-ylmethyl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-N-(oxolan-2-ylmethyl)propan-1-amine is FC(F)(F)CCNCC1CCCO1.
What is the InChIKey of 3,3,3-trifluoro-N-(oxolan-2-ylmethyl)propan-1-amine?
The InChIKey is VCNRFPXMMADMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c9-8(10,11)3-4-12-6-7-2-1-5-13-7/h7,12H,1-6H2.
What are the key properties of 3,3,3-trifluoro-N-(oxolan-2-ylmethyl)propan-1-amine?
3,3,3-trifluoro-N-(oxolan-2-ylmethyl)propan-1-amine has a molecular weight of 197.20 g/mol, XLogP of 1.71, 4 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-(oxolan-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 60684016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).