2-[3-(1,1-difluoroethyl)cyclohexyl]oxyethanamine

C10H19F2NO — CID 170263462

IUPAC2-[3-(1,1-difluoroethyl)cyclohexyl]oxyethanamine
SMILESCC(F)(F)C1CCCC(OCCN)C1
InChIInChI=1S/C10H19F2NO/c1-10(11,12)8-3-2-4-9(7-8)14-6-5-13/h8-9H,2-7,13H2,1H3
InChIKeyVEOFFJDEDDFSLQ-UHFFFAOYSA-N
MW207.26 g/mol
LogP2.18
Rot. Bonds4

About 2-[3-(1,1-difluoroethyl)cyclohexyl]oxyethanamine

2-[3-(1,1-difluoroethyl)cyclohexyl]oxyethanamine (PubChem CID 170263462) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is 2-[3-(1,1-difluoroethyl)cyclohexyl]oxyethanamine.

Molecular Properties

Compound Name2-[3-(1,1-difluoroethyl)cyclohexyl]oxyethanamine
PubChem CID170263462
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Name2-[3-(1,1-difluoroethyl)cyclohexyl]oxyethanamine
SMILESCC(F)(F)C1CCCC(OCCN)C1
InChIInChI=1S/C10H19F2NO/c1-10(11,12)8-3-2-4-9(7-8)14-6-5-13/h8-9H,2-7,13H2,1H3
InChIKeyVEOFFJDEDDFSLQ-UHFFFAOYSA-N
XLogP2.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,1-difluoroethyl)cyclohexyl]oxyethanamine?
The IUPAC name of 2-[3-(1,1-difluoroethyl)cyclohexyl]oxyethanamine (CID 170263462) is 2-[3-(1,1-difluoroethyl)cyclohexyl]oxyethanamine.
What is the SMILES notation for 2-[3-(1,1-difluoroethyl)cyclohexyl]oxyethanamine?
The canonical SMILES for 2-[3-(1,1-difluoroethyl)cyclohexyl]oxyethanamine is CC(F)(F)C1CCCC(OCCN)C1.
What is the InChIKey of 2-[3-(1,1-difluoroethyl)cyclohexyl]oxyethanamine?
The InChIKey is VEOFFJDEDDFSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO/c1-10(11,12)8-3-2-4-9(7-8)14-6-5-13/h8-9H,2-7,13H2,1H3.
What are the key properties of 2-[3-(1,1-difluoroethyl)cyclohexyl]oxyethanamine?
2-[3-(1,1-difluoroethyl)cyclohexyl]oxyethanamine has a molecular weight of 207.26 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,1-difluoroethyl)cyclohexyl]oxyethanamine is sourced from PubChem (CID 170263462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).