5-(aminomethyl)-N-(2,2,3,3-tetrafluoropropyl)oxolane-2-carboxamide

C9H14F4N2O2 — CID 114169312

IUPAC5-(aminomethyl)-N-(2,2,3,3-tetrafluoropropyl)oxolane-2-carboxamide
SMILESNCC1CCC(C(=O)NCC(F)(F)C(F)F)O1
InChIInChI=1S/C9H14F4N2O2/c10-8(11)9(12,13)4-15-7(16)6-2-1-5(3-14)17-6/h5-6,8H,1-4,14H2,(H,15,16)
InChIKeyNZUAKQMSBTWGRL-UHFFFAOYSA-N
MW258.21 g/mol
LogP0.51
Rot. Bonds5

About 5-(aminomethyl)-N-(2,2,3,3-tetrafluoropropyl)oxolane-2-carboxamide

5-(aminomethyl)-N-(2,2,3,3-tetrafluoropropyl)oxolane-2-carboxamide (PubChem CID 114169312) has the molecular formula C9H14F4N2O2 and a molecular weight of 258.21 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(2,2,3,3-tetrafluoropropyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(2,2,3,3-tetrafluoropropyl)oxolane-2-carboxamide
PubChem CID114169312
Molecular FormulaC9H14F4N2O2
Molecular Weight258.21 g/mol
Exact Mass258.10
IUPAC Name5-(aminomethyl)-N-(2,2,3,3-tetrafluoropropyl)oxolane-2-carboxamide
SMILESNCC1CCC(C(=O)NCC(F)(F)C(F)F)O1
InChIInChI=1S/C9H14F4N2O2/c10-8(11)9(12,13)4-15-7(16)6-2-1-5(3-14)17-6/h5-6,8H,1-4,14H2,(H,15,16)
InChIKeyNZUAKQMSBTWGRL-UHFFFAOYSA-N
XLogP0.51
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.21
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(aminomethyl)-N-(2,2,3,3-tetrafluoropropyl)oxolane-2-carboxamide 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

5-(aminomethyl)-N-(2,2-difluoroethyl)oxolane-2-carboxamide
CID 115406853
(2S,5R)-5-(aminomethyl)-N-(4-hydroxy-2,2-dimethylpentyl)oxolane-2-carboxamide
CID 120794872
methyl 2-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]acetate
CID 120787676
(2S,5R)-5-(aminomethyl)-N-(3,3-dimethylbutyl)oxolane-2-carboxamide
CID 120785708
(2S,5R)-5-(aminomethyl)-N-(2-methyl-2-morpholin-4-ylpropyl)oxolane-2-carboxamide
CID 120796944
(2S,5R)-5-(aminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolane-2-carboxamide;hydrochloride
CID 120785667
(2S,5R)-5-(aminomethyl)-N-(cyclohexylmethyl)oxolane-2-carboxamide
CID 120782860
(2S,5R)-5-(aminomethyl)-N-(2-hydroxy-4,4-dimethylpentyl)oxolane-2-carboxamide;hydrochloride
CID 120793983
5-(aminomethyl)-N-hex-5-ynyloxolane-2-carboxamide
CID 106212939
5-(aminomethyl)-N-(5-methylhexyl)oxolane-2-carboxamide
CID 115325352
(2S,5R)-5-(aminomethyl)-N-[(1-propan-2-ylcyclopropyl)methyl]oxolane-2-carboxamide
CID 120794756
(2S,5R)-5-(aminomethyl)-N-(dicyclopropylmethyl)oxolane-2-carboxamide;hydrochloride
CID 120785367

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(2,2,3,3-tetrafluoropropyl)oxolane-2-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-(2,2,3,3-tetrafluoropropyl)oxolane-2-carboxamide (CID 114169312) is 5-(aminomethyl)-N-(2,2,3,3-tetrafluoropropyl)oxolane-2-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-(2,2,3,3-tetrafluoropropyl)oxolane-2-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-(2,2,3,3-tetrafluoropropyl)oxolane-2-carboxamide is NCC1CCC(C(=O)NCC(F)(F)C(F)F)O1.
What is the InChIKey of 5-(aminomethyl)-N-(2,2,3,3-tetrafluoropropyl)oxolane-2-carboxamide?
The InChIKey is NZUAKQMSBTWGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F4N2O2/c10-8(11)9(12,13)4-15-7(16)6-2-1-5(3-14)17-6/h5-6,8H,1-4,14H2,(H,15,16).
What are the key properties of 5-(aminomethyl)-N-(2,2,3,3-tetrafluoropropyl)oxolane-2-carboxamide?
5-(aminomethyl)-N-(2,2,3,3-tetrafluoropropyl)oxolane-2-carboxamide has a molecular weight of 258.21 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(2,2,3,3-tetrafluoropropyl)oxolane-2-carboxamide is sourced from PubChem (CID 114169312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).