2-[[3-(trifluoromethyl)cyclohexyl]amino]ethanol

C9H16F3NO — CID 64757768

IUPAC2-[[3-(trifluoromethyl)cyclohexyl]amino]ethanol
SMILESOCCNC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C9H16F3NO/c10-9(11,12)7-2-1-3-8(6-7)13-4-5-14/h7-8,13-14H,1-6H2
InChIKeyXICVJCPVSXTOAX-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.69
Rot. Bonds3

About 2-[[3-(trifluoromethyl)cyclohexyl]amino]ethanol

2-[[3-(trifluoromethyl)cyclohexyl]amino]ethanol (PubChem CID 64757768) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 2-[[3-(trifluoromethyl)cyclohexyl]amino]ethanol.

Molecular Properties

Compound Name2-[[3-(trifluoromethyl)cyclohexyl]amino]ethanol
PubChem CID64757768
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name2-[[3-(trifluoromethyl)cyclohexyl]amino]ethanol
SMILESOCCNC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C9H16F3NO/c10-9(11,12)7-2-1-3-8(6-7)13-4-5-14/h7-8,13-14H,1-6H2
InChIKeyXICVJCPVSXTOAX-UHFFFAOYSA-N
XLogP1.69
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(trifluoromethyl)cyclohexyl]amino]ethanol?
The IUPAC name of 2-[[3-(trifluoromethyl)cyclohexyl]amino]ethanol (CID 64757768) is 2-[[3-(trifluoromethyl)cyclohexyl]amino]ethanol.
What is the SMILES notation for 2-[[3-(trifluoromethyl)cyclohexyl]amino]ethanol?
The canonical SMILES for 2-[[3-(trifluoromethyl)cyclohexyl]amino]ethanol is OCCNC1CCCC(C(F)(F)F)C1.
What is the InChIKey of 2-[[3-(trifluoromethyl)cyclohexyl]amino]ethanol?
The InChIKey is XICVJCPVSXTOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c10-9(11,12)7-2-1-3-8(6-7)13-4-5-14/h7-8,13-14H,1-6H2.
What are the key properties of 2-[[3-(trifluoromethyl)cyclohexyl]amino]ethanol?
2-[[3-(trifluoromethyl)cyclohexyl]amino]ethanol has a molecular weight of 211.23 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(trifluoromethyl)cyclohexyl]amino]ethanol is sourced from PubChem (CID 64757768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).