4-[bis(2-hydroxyethyl)amino]-3-fluorophenol

C10H14FNO3 — CID 10822558

IUPAC4-[bis(2-hydroxyethyl)amino]-3-fluorophenol
SMILESOCCN(CCO)c1ccc(O)cc1F
InChIInChI=1S/C10H14FNO3/c11-9-7-8(15)1-2-10(9)12(3-5-13)4-6-14/h1-2,7,13-15H,3-6H2
InChIKeyPJNLNDDJGBGQAL-UHFFFAOYSA-N
MW215.22 g/mol
LogP0.32
Rot. Bonds5

About 4-[bis(2-hydroxyethyl)amino]-3-fluorophenol

4-[bis(2-hydroxyethyl)amino]-3-fluorophenol (PubChem CID 10822558) has the molecular formula C10H14FNO3 and a molecular weight of 215.22 g/mol. Its IUPAC name is 4-[bis(2-hydroxyethyl)amino]-3-fluorophenol.

Molecular Properties

Compound Name4-[bis(2-hydroxyethyl)amino]-3-fluorophenol
PubChem CID10822558
Molecular FormulaC10H14FNO3
Molecular Weight215.22 g/mol
Exact Mass215.10
IUPAC Name4-[bis(2-hydroxyethyl)amino]-3-fluorophenol
SMILESOCCN(CCO)c1ccc(O)cc1F
InChIInChI=1S/C10H14FNO3/c11-9-7-8(15)1-2-10(9)12(3-5-13)4-6-14/h1-2,7,13-15H,3-6H2
InChIKeyPJNLNDDJGBGQAL-UHFFFAOYSA-N
XLogP0.32
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[bis(2-hydroxyethyl)amino]-3-fluorophenol?
The IUPAC name of 4-[bis(2-hydroxyethyl)amino]-3-fluorophenol (CID 10822558) is 4-[bis(2-hydroxyethyl)amino]-3-fluorophenol.
What is the SMILES notation for 4-[bis(2-hydroxyethyl)amino]-3-fluorophenol?
The canonical SMILES for 4-[bis(2-hydroxyethyl)amino]-3-fluorophenol is OCCN(CCO)c1ccc(O)cc1F.
What is the InChIKey of 4-[bis(2-hydroxyethyl)amino]-3-fluorophenol?
The InChIKey is PJNLNDDJGBGQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO3/c11-9-7-8(15)1-2-10(9)12(3-5-13)4-6-14/h1-2,7,13-15H,3-6H2.
What are the key properties of 4-[bis(2-hydroxyethyl)amino]-3-fluorophenol?
4-[bis(2-hydroxyethyl)amino]-3-fluorophenol has a molecular weight of 215.22 g/mol, XLogP of 0.32, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(2-hydroxyethyl)amino]-3-fluorophenol is sourced from PubChem (CID 10822558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).