2-[1-(aminomethyl)-4,4-difluorocyclohexyl]oxyethanol

C9H17F2NO2 — CID 125424356

IUPAC2-[1-(aminomethyl)-4,4-difluorocyclohexyl]oxyethanol
SMILESNCC1(OCCO)CCC(F)(F)CC1
InChIInChI=1S/C9H17F2NO2/c10-9(11)3-1-8(7-12,2-4-9)14-6-5-13/h13H,1-7,12H2
InChIKeyOWLCOFRKQRHPHW-UHFFFAOYSA-N
MW209.24 g/mol
LogP0.90
Rot. Bonds4

About 2-[1-(aminomethyl)-4,4-difluorocyclohexyl]oxyethanol

2-[1-(aminomethyl)-4,4-difluorocyclohexyl]oxyethanol (PubChem CID 125424356) has the molecular formula C9H17F2NO2 and a molecular weight of 209.24 g/mol. Its IUPAC name is 2-[1-(aminomethyl)-4,4-difluorocyclohexyl]oxyethanol.

Molecular Properties

Compound Name2-[1-(aminomethyl)-4,4-difluorocyclohexyl]oxyethanol
PubChem CID125424356
Molecular FormulaC9H17F2NO2
Molecular Weight209.24 g/mol
Exact Mass209.12
IUPAC Name2-[1-(aminomethyl)-4,4-difluorocyclohexyl]oxyethanol
SMILESNCC1(OCCO)CCC(F)(F)CC1
InChIInChI=1S/C9H17F2NO2/c10-9(11)3-1-8(7-12,2-4-9)14-6-5-13/h13H,1-7,12H2
InChIKeyOWLCOFRKQRHPHW-UHFFFAOYSA-N
XLogP0.90
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)-4,4-difluorocyclohexyl]oxyethanol?
The IUPAC name of 2-[1-(aminomethyl)-4,4-difluorocyclohexyl]oxyethanol (CID 125424356) is 2-[1-(aminomethyl)-4,4-difluorocyclohexyl]oxyethanol.
What is the SMILES notation for 2-[1-(aminomethyl)-4,4-difluorocyclohexyl]oxyethanol?
The canonical SMILES for 2-[1-(aminomethyl)-4,4-difluorocyclohexyl]oxyethanol is NCC1(OCCO)CCC(F)(F)CC1.
What is the InChIKey of 2-[1-(aminomethyl)-4,4-difluorocyclohexyl]oxyethanol?
The InChIKey is OWLCOFRKQRHPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO2/c10-9(11)3-1-8(7-12,2-4-9)14-6-5-13/h13H,1-7,12H2.
What are the key properties of 2-[1-(aminomethyl)-4,4-difluorocyclohexyl]oxyethanol?
2-[1-(aminomethyl)-4,4-difluorocyclohexyl]oxyethanol has a molecular weight of 209.24 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)-4,4-difluorocyclohexyl]oxyethanol is sourced from PubChem (CID 125424356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).