4-(1-aminoethyl)-2-(difluoromethyl)phenol

C9H11F2NO — CID 84660904

IUPAC4-(1-aminoethyl)-2-(difluoromethyl)phenol
SMILESCC(N)c1ccc(O)c(C(F)F)c1
InChIInChI=1S/C9H11F2NO/c1-5(12)6-2-3-8(13)7(4-6)9(10)11/h2-5,9,13H,12H2,1H3
InChIKeyHTYLBLAMPOBDBY-UHFFFAOYSA-N
MW187.19 g/mol
LogP2.35
Rot. Bonds2

About 4-(1-aminoethyl)-2-(difluoromethyl)phenol

4-(1-aminoethyl)-2-(difluoromethyl)phenol (PubChem CID 84660904) has the molecular formula C9H11F2NO and a molecular weight of 187.19 g/mol. Its IUPAC name is 4-(1-aminoethyl)-2-(difluoromethyl)phenol.

Molecular Properties

Compound Name4-(1-aminoethyl)-2-(difluoromethyl)phenol
PubChem CID84660904
Molecular FormulaC9H11F2NO
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name4-(1-aminoethyl)-2-(difluoromethyl)phenol
SMILESCC(N)c1ccc(O)c(C(F)F)c1
InChIInChI=1S/C9H11F2NO/c1-5(12)6-2-3-8(13)7(4-6)9(10)11/h2-5,9,13H,12H2,1H3
InChIKeyHTYLBLAMPOBDBY-UHFFFAOYSA-N
XLogP2.35
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-2-(difluoromethyl)phenol?
The IUPAC name of 4-(1-aminoethyl)-2-(difluoromethyl)phenol (CID 84660904) is 4-(1-aminoethyl)-2-(difluoromethyl)phenol.
What is the SMILES notation for 4-(1-aminoethyl)-2-(difluoromethyl)phenol?
The canonical SMILES for 4-(1-aminoethyl)-2-(difluoromethyl)phenol is CC(N)c1ccc(O)c(C(F)F)c1.
What is the InChIKey of 4-(1-aminoethyl)-2-(difluoromethyl)phenol?
The InChIKey is HTYLBLAMPOBDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO/c1-5(12)6-2-3-8(13)7(4-6)9(10)11/h2-5,9,13H,12H2,1H3.
What are the key properties of 4-(1-aminoethyl)-2-(difluoromethyl)phenol?
4-(1-aminoethyl)-2-(difluoromethyl)phenol has a molecular weight of 187.19 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-2-(difluoromethyl)phenol is sourced from PubChem (CID 84660904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).