2-[(3,3-difluorocyclohexyl)methylamino]ethanol

C9H17F2NO — CID 68729593

IUPAC2-[(3,3-difluorocyclohexyl)methylamino]ethanol
SMILESOCCNCC1CCCC(F)(F)C1
InChIInChI=1S/C9H17F2NO/c10-9(11)3-1-2-8(6-9)7-12-4-5-13/h8,12-13H,1-7H2
InChIKeyOBFNVGOMFWUGBI-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.39
Rot. Bonds4

About 2-[(3,3-difluorocyclohexyl)methylamino]ethanol

2-[(3,3-difluorocyclohexyl)methylamino]ethanol (PubChem CID 68729593) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 2-[(3,3-difluorocyclohexyl)methylamino]ethanol.

Molecular Properties

Compound Name2-[(3,3-difluorocyclohexyl)methylamino]ethanol
PubChem CID68729593
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name2-[(3,3-difluorocyclohexyl)methylamino]ethanol
SMILESOCCNCC1CCCC(F)(F)C1
InChIInChI=1S/C9H17F2NO/c10-9(11)3-1-2-8(6-9)7-12-4-5-13/h8,12-13H,1-7H2
InChIKeyOBFNVGOMFWUGBI-UHFFFAOYSA-N
XLogP1.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,3-difluorocyclohexyl)methylamino]ethanol?
The IUPAC name of 2-[(3,3-difluorocyclohexyl)methylamino]ethanol (CID 68729593) is 2-[(3,3-difluorocyclohexyl)methylamino]ethanol.
What is the SMILES notation for 2-[(3,3-difluorocyclohexyl)methylamino]ethanol?
The canonical SMILES for 2-[(3,3-difluorocyclohexyl)methylamino]ethanol is OCCNCC1CCCC(F)(F)C1.
What is the InChIKey of 2-[(3,3-difluorocyclohexyl)methylamino]ethanol?
The InChIKey is OBFNVGOMFWUGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c10-9(11)3-1-2-8(6-9)7-12-4-5-13/h8,12-13H,1-7H2.
What are the key properties of 2-[(3,3-difluorocyclohexyl)methylamino]ethanol?
2-[(3,3-difluorocyclohexyl)methylamino]ethanol has a molecular weight of 193.24 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3-difluorocyclohexyl)methylamino]ethanol is sourced from PubChem (CID 68729593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).