2-[4-amino-1-(trifluoromethyl)cyclohexyl]oxyethanol

C9H16F3NO2 — CID 163295566

IUPAC2-[4-amino-1-(trifluoromethyl)cyclohexyl]oxyethanol
SMILESNC1CCC(OCCO)(C(F)(F)F)CC1
InChIInChI=1S/C9H16F3NO2/c10-9(11,12)8(15-6-5-14)3-1-7(13)2-4-8/h7,14H,1-6,13H2
InChIKeyQSTPTFOAGVZYEG-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.20
Rot. Bonds3

About 2-[4-amino-1-(trifluoromethyl)cyclohexyl]oxyethanol

2-[4-amino-1-(trifluoromethyl)cyclohexyl]oxyethanol (PubChem CID 163295566) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is 2-[4-amino-1-(trifluoromethyl)cyclohexyl]oxyethanol.

Molecular Properties

Compound Name2-[4-amino-1-(trifluoromethyl)cyclohexyl]oxyethanol
PubChem CID163295566
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC Name2-[4-amino-1-(trifluoromethyl)cyclohexyl]oxyethanol
SMILESNC1CCC(OCCO)(C(F)(F)F)CC1
InChIInChI=1S/C9H16F3NO2/c10-9(11,12)8(15-6-5-14)3-1-7(13)2-4-8/h7,14H,1-6,13H2
InChIKeyQSTPTFOAGVZYEG-UHFFFAOYSA-N
XLogP1.20
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-1-(trifluoromethyl)cyclohexyl]oxyethanol?
The IUPAC name of 2-[4-amino-1-(trifluoromethyl)cyclohexyl]oxyethanol (CID 163295566) is 2-[4-amino-1-(trifluoromethyl)cyclohexyl]oxyethanol.
What is the SMILES notation for 2-[4-amino-1-(trifluoromethyl)cyclohexyl]oxyethanol?
The canonical SMILES for 2-[4-amino-1-(trifluoromethyl)cyclohexyl]oxyethanol is NC1CCC(OCCO)(C(F)(F)F)CC1.
What is the InChIKey of 2-[4-amino-1-(trifluoromethyl)cyclohexyl]oxyethanol?
The InChIKey is QSTPTFOAGVZYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2/c10-9(11,12)8(15-6-5-14)3-1-7(13)2-4-8/h7,14H,1-6,13H2.
What are the key properties of 2-[4-amino-1-(trifluoromethyl)cyclohexyl]oxyethanol?
2-[4-amino-1-(trifluoromethyl)cyclohexyl]oxyethanol has a molecular weight of 227.23 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-1-(trifluoromethyl)cyclohexyl]oxyethanol is sourced from PubChem (CID 163295566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).