5-(oxolan-2-yl)-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine

C12H21F4NO2 — CID 103474903

IUPAC5-(oxolan-2-yl)-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine
SMILESNC(CCCC1CCCO1)COCC(F)(F)C(F)F
InChIInChI=1S/C12H21F4NO2/c13-11(14)12(15,16)8-18-7-9(17)3-1-4-10-5-2-6-19-10/h9-11H,1-8,17H2
InChIKeyCIUBKORMRNLKQP-UHFFFAOYSA-N
MW287.30 g/mol
LogP2.58
Rot. Bonds9

About 5-(oxolan-2-yl)-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine

5-(oxolan-2-yl)-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine (PubChem CID 103474903) has the molecular formula C12H21F4NO2 and a molecular weight of 287.30 g/mol. Its IUPAC name is 5-(oxolan-2-yl)-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine.

Molecular Properties

Compound Name5-(oxolan-2-yl)-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine
PubChem CID103474903
Molecular FormulaC12H21F4NO2
Molecular Weight287.30 g/mol
Exact Mass287.15
IUPAC Name5-(oxolan-2-yl)-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine
SMILESNC(CCCC1CCCO1)COCC(F)(F)C(F)F
InChIInChI=1S/C12H21F4NO2/c13-11(14)12(15,16)8-18-7-9(17)3-1-4-10-5-2-6-19-10/h9-11H,1-8,17H2
InChIKeyCIUBKORMRNLKQP-UHFFFAOYSA-N
XLogP2.58
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(oxolan-2-yl)-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-Difluoro-1-(oxolan-2-yl)ethan-1-amine
CID 80606054
2,2,2-Trifluoro-1-(oxolan-2-yl)ethan-1-amine
CID 66467484
2-(2,2,2-Trifluoroethoxy)cyclooctan-1-amine
CID 16793881
2-(2,2,2-Trifluoroethoxy)cyclododecan-1-amine
CID 45281829
2-(2,2,3,3-Tetrafluoropropoxy)cyclooctan-1-amine
CID 45283077
2-(2,2,3,3-Tetrafluoropropoxy)cycloheptan-1-amine
CID 45283087
5,5,5-Trifluoro-1-(oxolan-2-yl)pentan-2-amine
CID 64567828
1,1,1-Trifluoro-6-(oxolan-2-yl)hexan-3-amine
CID 65164238
1,1,1-Trifluoro-5-(oxolan-2-yl)pentan-3-amine
CID 65164286
4,4,4-Trifluoro-1-(oxolan-2-yl)butan-1-amine
CID 65331595
2-(1,1,1-Trifluoropropan-2-yloxy)cyclododecan-1-amine
CID 66277806
6,6,6-Trifluoro-1-(oxolan-2-yl)hexan-3-amine
CID 79953156

Frequently Asked Questions

What is the IUPAC name of 5-(oxolan-2-yl)-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine?
The IUPAC name of 5-(oxolan-2-yl)-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine (CID 103474903) is 5-(oxolan-2-yl)-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine.
What is the SMILES notation for 5-(oxolan-2-yl)-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine?
The canonical SMILES for 5-(oxolan-2-yl)-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine is NC(CCCC1CCCO1)COCC(F)(F)C(F)F.
What is the InChIKey of 5-(oxolan-2-yl)-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine?
The InChIKey is CIUBKORMRNLKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F4NO2/c13-11(14)12(15,16)8-18-7-9(17)3-1-4-10-5-2-6-19-10/h9-11H,1-8,17H2.
What are the key properties of 5-(oxolan-2-yl)-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine?
5-(oxolan-2-yl)-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine has a molecular weight of 287.30 g/mol, XLogP of 2.58, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxolan-2-yl)-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine is sourced from PubChem (CID 103474903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).