4-(aminomethyl)-N-(2,2-difluoro-3-hydroxypropyl)oxane-4-carboxamide

C10H18F2N2O3 — CID 114154228

IUPAC4-(aminomethyl)-N-(2,2-difluoro-3-hydroxypropyl)oxane-4-carboxamide
SMILESNCC1(C(=O)NCC(F)(F)CO)CCOCC1
InChIInChI=1S/C10H18F2N2O3/c11-10(12,7-15)6-14-8(16)9(5-13)1-3-17-4-2-9/h15H,1-7,13H2,(H,14,16)
InChIKeyFUFCONAKUIVEIO-UHFFFAOYSA-N
MW252.26 g/mol
LogP-0.51
Rot. Bonds5

About 4-(aminomethyl)-N-(2,2-difluoro-3-hydroxypropyl)oxane-4-carboxamide

4-(aminomethyl)-N-(2,2-difluoro-3-hydroxypropyl)oxane-4-carboxamide (PubChem CID 114154228) has the molecular formula C10H18F2N2O3 and a molecular weight of 252.26 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2,2-difluoro-3-hydroxypropyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2,2-difluoro-3-hydroxypropyl)oxane-4-carboxamide
PubChem CID114154228
Molecular FormulaC10H18F2N2O3
Molecular Weight252.26 g/mol
Exact Mass252.13
IUPAC Name4-(aminomethyl)-N-(2,2-difluoro-3-hydroxypropyl)oxane-4-carboxamide
SMILESNCC1(C(=O)NCC(F)(F)CO)CCOCC1
InChIInChI=1S/C10H18F2N2O3/c11-10(12,7-15)6-14-8(16)9(5-13)1-3-17-4-2-9/h15H,1-7,13H2,(H,14,16)
InChIKeyFUFCONAKUIVEIO-UHFFFAOYSA-N
XLogP-0.51
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2,2-difluoro-3-hydroxypropyl)oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-(2,2-difluoro-3-hydroxypropyl)oxane-4-carboxamide (CID 114154228) is 4-(aminomethyl)-N-(2,2-difluoro-3-hydroxypropyl)oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-(2,2-difluoro-3-hydroxypropyl)oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-(2,2-difluoro-3-hydroxypropyl)oxane-4-carboxamide is NCC1(C(=O)NCC(F)(F)CO)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-(2,2-difluoro-3-hydroxypropyl)oxane-4-carboxamide?
The InChIKey is FUFCONAKUIVEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O3/c11-10(12,7-15)6-14-8(16)9(5-13)1-3-17-4-2-9/h15H,1-7,13H2,(H,14,16).
What are the key properties of 4-(aminomethyl)-N-(2,2-difluoro-3-hydroxypropyl)oxane-4-carboxamide?
4-(aminomethyl)-N-(2,2-difluoro-3-hydroxypropyl)oxane-4-carboxamide has a molecular weight of 252.26 g/mol, XLogP of -0.51, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2,2-difluoro-3-hydroxypropyl)oxane-4-carboxamide is sourced from PubChem (CID 114154228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).