2-fluoro-4-[(oxetan-3-ylamino)methyl]phenol

C10H12FNO2 — CID 103874812

IUPAC2-fluoro-4-[(oxetan-3-ylamino)methyl]phenol
SMILESOc1ccc(CNC2COC2)cc1F
InChIInChI=1S/C10H12FNO2/c11-9-3-7(1-2-10(9)13)4-12-8-5-14-6-8/h1-3,8,12-13H,4-6H2
InChIKeyXHGZCJMCMIIMLT-UHFFFAOYSA-N
MW197.21 g/mol
LogP1.02
Rot. Bonds3

About 2-fluoro-4-[(oxetan-3-ylamino)methyl]phenol

2-fluoro-4-[(oxetan-3-ylamino)methyl]phenol (PubChem CID 103874812) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is 2-fluoro-4-[(oxetan-3-ylamino)methyl]phenol.

Molecular Properties

Compound Name2-fluoro-4-[(oxetan-3-ylamino)methyl]phenol
PubChem CID103874812
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC Name2-fluoro-4-[(oxetan-3-ylamino)methyl]phenol
SMILESOc1ccc(CNC2COC2)cc1F
InChIInChI=1S/C10H12FNO2/c11-9-3-7(1-2-10(9)13)4-12-8-5-14-6-8/h1-3,8,12-13H,4-6H2
InChIKeyXHGZCJMCMIIMLT-UHFFFAOYSA-N
XLogP1.02
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[(oxetan-3-ylamino)methyl]phenol?
The IUPAC name of 2-fluoro-4-[(oxetan-3-ylamino)methyl]phenol (CID 103874812) is 2-fluoro-4-[(oxetan-3-ylamino)methyl]phenol.
What is the SMILES notation for 2-fluoro-4-[(oxetan-3-ylamino)methyl]phenol?
The canonical SMILES for 2-fluoro-4-[(oxetan-3-ylamino)methyl]phenol is Oc1ccc(CNC2COC2)cc1F.
What is the InChIKey of 2-fluoro-4-[(oxetan-3-ylamino)methyl]phenol?
The InChIKey is XHGZCJMCMIIMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2/c11-9-3-7(1-2-10(9)13)4-12-8-5-14-6-8/h1-3,8,12-13H,4-6H2.
What are the key properties of 2-fluoro-4-[(oxetan-3-ylamino)methyl]phenol?
2-fluoro-4-[(oxetan-3-ylamino)methyl]phenol has a molecular weight of 197.21 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[(oxetan-3-ylamino)methyl]phenol is sourced from PubChem (CID 103874812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).