5-(aminomethyl)-N-(2,2-difluoroethyl)oxolane-2-carboxamide

C8H14F2N2O2 — CID 115406853

IUPAC5-(aminomethyl)-N-(2,2-difluoroethyl)oxolane-2-carboxamide
SMILESNCC1CCC(C(=O)NCC(F)F)O1
InChIInChI=1S/C8H14F2N2O2/c9-7(10)4-12-8(13)6-2-1-5(3-11)14-6/h5-7H,1-4,11H2,(H,12,13)
InChIKeyCGQNQGPEAOXKQS-UHFFFAOYSA-N
MW208.21 g/mol
LogP-0.13
Rot. Bonds4

About 5-(aminomethyl)-N-(2,2-difluoroethyl)oxolane-2-carboxamide

5-(aminomethyl)-N-(2,2-difluoroethyl)oxolane-2-carboxamide (PubChem CID 115406853) has the molecular formula C8H14F2N2O2 and a molecular weight of 208.21 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(2,2-difluoroethyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(2,2-difluoroethyl)oxolane-2-carboxamide
PubChem CID115406853
Molecular FormulaC8H14F2N2O2
Molecular Weight208.21 g/mol
Exact Mass208.10
IUPAC Name5-(aminomethyl)-N-(2,2-difluoroethyl)oxolane-2-carboxamide
SMILESNCC1CCC(C(=O)NCC(F)F)O1
InChIInChI=1S/C8H14F2N2O2/c9-7(10)4-12-8(13)6-2-1-5(3-11)14-6/h5-7H,1-4,11H2,(H,12,13)
InChIKeyCGQNQGPEAOXKQS-UHFFFAOYSA-N
XLogP-0.13
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(aminomethyl)-N-(2,2,3,3-tetrafluoropropyl)oxolane-2-carboxamide
CID 114169312
(2S,5R)-5-(aminomethyl)-N-[2-(4-fluorophenyl)propyl]oxolane-2-carboxamide
CID 120789856
(2S,5R)-5-(aminomethyl)-N-(2-cyclohexyl-2-hydroxyethyl)oxolane-2-carboxamide;hydrochloride
CID 120788183
(2S,5R)-5-(aminomethyl)-N-(2-hydroxy-4,4-dimethylpentyl)oxolane-2-carboxamide;hydrochloride
CID 120793983
(2S,5R)-5-(aminomethyl)-N-[2-(4-fluorophenyl)-2-methoxyethyl]oxolane-2-carboxamide;hydrochloride
CID 120796193
(2S,5R)-5-(aminomethyl)-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]oxolane-2-carboxamide;dihydrochloride
CID 120798751
methyl 2-[[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]amino]acetate
CID 120787676
(2S,5R)-5-(aminomethyl)-N-(cyclohexylmethyl)oxolane-2-carboxamide
CID 120782860
(2S,5R)-5-(aminomethyl)-N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]oxolane-2-carboxamide
CID 120793942
(2S,5R)-5-(aminomethyl)-N-[2-(diethylamino)-4-methylpentyl]oxolane-2-carboxamide;dihydrochloride
CID 120797665
(2S,5R)-5-(aminomethyl)-N-(3,3-dimethylbutyl)oxolane-2-carboxamide
CID 120785708
(2S,5R)-5-(aminomethyl)-N-[(1-propan-2-ylcyclopropyl)methyl]oxolane-2-carboxamide
CID 120794756

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(2,2-difluoroethyl)oxolane-2-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-(2,2-difluoroethyl)oxolane-2-carboxamide (CID 115406853) is 5-(aminomethyl)-N-(2,2-difluoroethyl)oxolane-2-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-(2,2-difluoroethyl)oxolane-2-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-(2,2-difluoroethyl)oxolane-2-carboxamide is NCC1CCC(C(=O)NCC(F)F)O1.
What is the InChIKey of 5-(aminomethyl)-N-(2,2-difluoroethyl)oxolane-2-carboxamide?
The InChIKey is CGQNQGPEAOXKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2O2/c9-7(10)4-12-8(13)6-2-1-5(3-11)14-6/h5-7H,1-4,11H2,(H,12,13).
What are the key properties of 5-(aminomethyl)-N-(2,2-difluoroethyl)oxolane-2-carboxamide?
5-(aminomethyl)-N-(2,2-difluoroethyl)oxolane-2-carboxamide has a molecular weight of 208.21 g/mol, XLogP of -0.13, 4 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-difluoroethyl)oxolane-2-carboxamide is sourced from PubChem (CID 115406853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).