2-fluoro-N-(1H-imidazol-5-ylmethyl)oxan-3-amine

C9H14FN3O — CID 126857094

IUPAC2-fluoro-N-(1H-imidazol-5-ylmethyl)oxan-3-amine
SMILESFC1OCCCC1NCc1cnc[nH]1
InChIInChI=1S/C9H14FN3O/c10-9-8(2-1-3-14-9)12-5-7-4-11-6-13-7/h4,6,8-9,12H,1-3,5H2,(H,11,13)
InChIKeyDMSZXTSQQGYVGL-UHFFFAOYSA-N
MW199.23 g/mol
LogP0.97
Rot. Bonds3

About 2-fluoro-N-(1H-imidazol-5-ylmethyl)oxan-3-amine

2-fluoro-N-(1H-imidazol-5-ylmethyl)oxan-3-amine (PubChem CID 126857094) has the molecular formula C9H14FN3O and a molecular weight of 199.23 g/mol. Its IUPAC name is 2-fluoro-N-(1H-imidazol-5-ylmethyl)oxan-3-amine.

Molecular Properties

Compound Name2-fluoro-N-(1H-imidazol-5-ylmethyl)oxan-3-amine
PubChem CID126857094
Molecular FormulaC9H14FN3O
Molecular Weight199.23 g/mol
Exact Mass199.11
IUPAC Name2-fluoro-N-(1H-imidazol-5-ylmethyl)oxan-3-amine
SMILESFC1OCCCC1NCc1cnc[nH]1
InChIInChI=1S/C9H14FN3O/c10-9-8(2-1-3-14-9)12-5-7-4-11-6-13-7/h4,6,8-9,12H,1-3,5H2,(H,11,13)
InChIKeyDMSZXTSQQGYVGL-UHFFFAOYSA-N
XLogP0.97
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(1H-imidazol-5-ylmethyl)oxan-3-amine?
The IUPAC name of 2-fluoro-N-(1H-imidazol-5-ylmethyl)oxan-3-amine (CID 126857094) is 2-fluoro-N-(1H-imidazol-5-ylmethyl)oxan-3-amine.
What is the SMILES notation for 2-fluoro-N-(1H-imidazol-5-ylmethyl)oxan-3-amine?
The canonical SMILES for 2-fluoro-N-(1H-imidazol-5-ylmethyl)oxan-3-amine is FC1OCCCC1NCc1cnc[nH]1.
What is the InChIKey of 2-fluoro-N-(1H-imidazol-5-ylmethyl)oxan-3-amine?
The InChIKey is DMSZXTSQQGYVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3O/c10-9-8(2-1-3-14-9)12-5-7-4-11-6-13-7/h4,6,8-9,12H,1-3,5H2,(H,11,13).
What are the key properties of 2-fluoro-N-(1H-imidazol-5-ylmethyl)oxan-3-amine?
2-fluoro-N-(1H-imidazol-5-ylmethyl)oxan-3-amine has a molecular weight of 199.23 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(1H-imidazol-5-ylmethyl)oxan-3-amine is sourced from PubChem (CID 126857094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).