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

C9H16F3NO — CID 102672424

IUPAC3,3,3-trifluoro-N-[2-(oxolan-3-yl)ethyl]propan-1-amine
SMILESFC(F)(F)CCNCCC1CCOC1
InChIInChI=1S/C9H16F3NO/c10-9(11,12)3-5-13-4-1-8-2-6-14-7-8/h8,13H,1-7H2
InChIKeyQOTMNAZDWUQRCN-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.96
Rot. Bonds5

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

3,3,3-trifluoro-N-[2-(oxolan-3-yl)ethyl]propan-1-amine (PubChem CID 102672424) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[2-(oxolan-3-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[2-(oxolan-3-yl)ethyl]propan-1-amine
PubChem CID102672424
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name3,3,3-trifluoro-N-[2-(oxolan-3-yl)ethyl]propan-1-amine
SMILESFC(F)(F)CCNCCC1CCOC1
InChIInChI=1S/C9H16F3NO/c10-9(11,12)3-5-13-4-1-8-2-6-14-7-8/h8,13H,1-7H2
InChIKeyQOTMNAZDWUQRCN-UHFFFAOYSA-N
XLogP1.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.96
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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Related Compounds

N-(cyclobutylmethyl)-2-(oxolan-3-yl)ethanamine
CID 102671743
3-(3,3,3-trifluoropropylsulfanylmethyl)oxolane
CID 46836222
N-(3,3,3-trifluoropropyl)oxolan-3-amine
CID 63335110
(3S)-3-(2-iodoethyl)oxolane
CID 97296763
N-[2-(oxolan-3-yl)ethyl]-3-phenylpropan-1-amine
CID 102671288
4-[[2-(oxolan-3-yl)ethylamino]methyl]pyrrolidin-3-ol
CID 120962917
[2-(oxan-4-yl)ethylamino]methanethiol
CID 115228335
3-[2-(oxan-4-yl)ethylamino]propane-1-thiol
CID 115225191
5,5,5-trifluoro-1-(oxolan-3-yl)pentan-2-amine
CID 103986661
2-methyl-4-(oxolan-3-ylmethylamino)butan-2-ol
CID 79360440
3-[2-(oxolan-3-yl)ethylamino]-N-propan-2-ylpropanamide
CID 102671535
N-(oxolan-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 61490796

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[2-(oxolan-3-yl)ethyl]propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-N-[2-(oxolan-3-yl)ethyl]propan-1-amine (CID 102672424) is 3,3,3-trifluoro-N-[2-(oxolan-3-yl)ethyl]propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-N-[2-(oxolan-3-yl)ethyl]propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-N-[2-(oxolan-3-yl)ethyl]propan-1-amine is FC(F)(F)CCNCCC1CCOC1.
What is the InChIKey of 3,3,3-trifluoro-N-[2-(oxolan-3-yl)ethyl]propan-1-amine?
The InChIKey is QOTMNAZDWUQRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c10-9(11,12)3-5-13-4-1-8-2-6-14-7-8/h8,13H,1-7H2.
What are the key properties of 3,3,3-trifluoro-N-[2-(oxolan-3-yl)ethyl]propan-1-amine?
3,3,3-trifluoro-N-[2-(oxolan-3-yl)ethyl]propan-1-amine has a molecular weight of 211.23 g/mol, XLogP of 1.96, 5 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-[2-(oxolan-3-yl)ethyl]propan-1-amine is sourced from PubChem (CID 102672424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).