[4-(2-amino-4-fluoroanilino)oxan-4-yl]methanol

C12H17FN2O2 — CID 106296789

IUPAC[4-(2-amino-4-fluoroanilino)oxan-4-yl]methanol
SMILESNc1cc(F)ccc1NC1(CO)CCOCC1
InChIInChI=1S/C12H17FN2O2/c13-9-1-2-11(10(14)7-9)15-12(8-16)3-5-17-6-4-12/h1-2,7,15-16H,3-6,8,14H2
InChIKeyKBWKGMIFDPGLEW-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.36
Rot. Bonds3

About [4-(2-amino-4-fluoroanilino)oxan-4-yl]methanol

[4-(2-amino-4-fluoroanilino)oxan-4-yl]methanol (PubChem CID 106296789) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is [4-(2-amino-4-fluoroanilino)oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-(2-amino-4-fluoroanilino)oxan-4-yl]methanol
PubChem CID106296789
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name[4-(2-amino-4-fluoroanilino)oxan-4-yl]methanol
SMILESNc1cc(F)ccc1NC1(CO)CCOCC1
InChIInChI=1S/C12H17FN2O2/c13-9-1-2-11(10(14)7-9)15-12(8-16)3-5-17-6-4-12/h1-2,7,15-16H,3-6,8,14H2
InChIKeyKBWKGMIFDPGLEW-UHFFFAOYSA-N
XLogP1.36
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(2-amino-4-fluoroanilino)oxan-4-yl]methanol?
The IUPAC name of [4-(2-amino-4-fluoroanilino)oxan-4-yl]methanol (CID 106296789) is [4-(2-amino-4-fluoroanilino)oxan-4-yl]methanol.
What is the SMILES notation for [4-(2-amino-4-fluoroanilino)oxan-4-yl]methanol?
The canonical SMILES for [4-(2-amino-4-fluoroanilino)oxan-4-yl]methanol is Nc1cc(F)ccc1NC1(CO)CCOCC1.
What is the InChIKey of [4-(2-amino-4-fluoroanilino)oxan-4-yl]methanol?
The InChIKey is KBWKGMIFDPGLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c13-9-1-2-11(10(14)7-9)15-12(8-16)3-5-17-6-4-12/h1-2,7,15-16H,3-6,8,14H2.
What are the key properties of [4-(2-amino-4-fluoroanilino)oxan-4-yl]methanol?
[4-(2-amino-4-fluoroanilino)oxan-4-yl]methanol has a molecular weight of 240.28 g/mol, XLogP of 1.36, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-amino-4-fluoroanilino)oxan-4-yl]methanol is sourced from PubChem (CID 106296789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).