1-amino-2-[3-(difluoromethyl)-4-fluorophenyl]ethanol

C9H10F3NO — CID 162541274

IUPAC1-amino-2-[3-(difluoromethyl)-4-fluorophenyl]ethanol
SMILESNC(O)Cc1ccc(F)c(C(F)F)c1
InChIInChI=1S/C9H10F3NO/c10-7-2-1-5(4-8(13)14)3-6(7)9(11)12/h1-3,8-9,14H,4,13H2
InChIKeyZIGHUDFMSKYLKS-UHFFFAOYSA-N
MW205.18 g/mol
LogP1.58
Rot. Bonds3

About 1-amino-2-[3-(difluoromethyl)-4-fluorophenyl]ethanol

1-amino-2-[3-(difluoromethyl)-4-fluorophenyl]ethanol (PubChem CID 162541274) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is 1-amino-2-[3-(difluoromethyl)-4-fluorophenyl]ethanol.

Molecular Properties

Compound Name1-amino-2-[3-(difluoromethyl)-4-fluorophenyl]ethanol
PubChem CID162541274
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name1-amino-2-[3-(difluoromethyl)-4-fluorophenyl]ethanol
SMILESNC(O)Cc1ccc(F)c(C(F)F)c1
InChIInChI=1S/C9H10F3NO/c10-7-2-1-5(4-8(13)14)3-6(7)9(11)12/h1-3,8-9,14H,4,13H2
InChIKeyZIGHUDFMSKYLKS-UHFFFAOYSA-N
XLogP1.58
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 1-amino-2-[3-(difluoromethyl)-4-fluorophenyl]ethanol?
The IUPAC name of 1-amino-2-[3-(difluoromethyl)-4-fluorophenyl]ethanol (CID 162541274) is 1-amino-2-[3-(difluoromethyl)-4-fluorophenyl]ethanol.
What is the SMILES notation for 1-amino-2-[3-(difluoromethyl)-4-fluorophenyl]ethanol?
The canonical SMILES for 1-amino-2-[3-(difluoromethyl)-4-fluorophenyl]ethanol is NC(O)Cc1ccc(F)c(C(F)F)c1.
What is the InChIKey of 1-amino-2-[3-(difluoromethyl)-4-fluorophenyl]ethanol?
The InChIKey is ZIGHUDFMSKYLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO/c10-7-2-1-5(4-8(13)14)3-6(7)9(11)12/h1-3,8-9,14H,4,13H2.
What are the key properties of 1-amino-2-[3-(difluoromethyl)-4-fluorophenyl]ethanol?
1-amino-2-[3-(difluoromethyl)-4-fluorophenyl]ethanol has a molecular weight of 205.18 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[3-(difluoromethyl)-4-fluorophenyl]ethanol is sourced from PubChem (CID 162541274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).