(3-amino-4-fluorooxolan-3-yl)methanediol

C5H10FNO3 — CID 123496078

IUPAC(3-amino-4-fluorooxolan-3-yl)methanediol
SMILESNC1(C(O)O)COCC1F
InChIInChI=1S/C5H10FNO3/c6-3-1-10-2-5(3,7)4(8)9/h3-4,8-9H,1-2,7H2
InChIKeyHRAWVVVRJOMHQN-UHFFFAOYSA-N
MW151.14 g/mol
LogP-1.64
Rot. Bonds1

About (3-amino-4-fluorooxolan-3-yl)methanediol

(3-amino-4-fluorooxolan-3-yl)methanediol (PubChem CID 123496078) has the molecular formula C5H10FNO3 and a molecular weight of 151.14 g/mol. Its IUPAC name is (3-amino-4-fluorooxolan-3-yl)methanediol.

Molecular Properties

Compound Name(3-amino-4-fluorooxolan-3-yl)methanediol
PubChem CID123496078
Molecular FormulaC5H10FNO3
Molecular Weight151.14 g/mol
Exact Mass151.06
IUPAC Name(3-amino-4-fluorooxolan-3-yl)methanediol
SMILESNC1(C(O)O)COCC1F
InChIInChI=1S/C5H10FNO3/c6-3-1-10-2-5(3,7)4(8)9/h3-4,8-9H,1-2,7H2
InChIKeyHRAWVVVRJOMHQN-UHFFFAOYSA-N
XLogP-1.64
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.14
LogP ≤ 5-1.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-amino-4-fluorooxolan-3-yl)methanediol?
The IUPAC name of (3-amino-4-fluorooxolan-3-yl)methanediol (CID 123496078) is (3-amino-4-fluorooxolan-3-yl)methanediol.
What is the SMILES notation for (3-amino-4-fluorooxolan-3-yl)methanediol?
The canonical SMILES for (3-amino-4-fluorooxolan-3-yl)methanediol is NC1(C(O)O)COCC1F.
What is the InChIKey of (3-amino-4-fluorooxolan-3-yl)methanediol?
The InChIKey is HRAWVVVRJOMHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FNO3/c6-3-1-10-2-5(3,7)4(8)9/h3-4,8-9H,1-2,7H2.
What are the key properties of (3-amino-4-fluorooxolan-3-yl)methanediol?
(3-amino-4-fluorooxolan-3-yl)methanediol has a molecular weight of 151.14 g/mol, XLogP of -1.64, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-fluorooxolan-3-yl)methanediol is sourced from PubChem (CID 123496078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).