2-[(4,4-difluorocyclohexyl)amino]ethanol

C8H15F2NO — CID 129320071

IUPAC2-[(4,4-difluorocyclohexyl)amino]ethanol
SMILESOCCNC1CCC(F)(F)CC1
InChIInChI=1S/C8H15F2NO/c9-8(10)3-1-7(2-4-8)11-5-6-12/h7,11-12H,1-6H2
InChIKeyFSJTUPNYJQHTOZ-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.15
Rot. Bonds3

About 2-[(4,4-difluorocyclohexyl)amino]ethanol

2-[(4,4-difluorocyclohexyl)amino]ethanol (PubChem CID 129320071) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is 2-[(4,4-difluorocyclohexyl)amino]ethanol.

Molecular Properties

Compound Name2-[(4,4-difluorocyclohexyl)amino]ethanol
PubChem CID129320071
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name2-[(4,4-difluorocyclohexyl)amino]ethanol
SMILESOCCNC1CCC(F)(F)CC1
InChIInChI=1S/C8H15F2NO/c9-8(10)3-1-7(2-4-8)11-5-6-12/h7,11-12H,1-6H2
InChIKeyFSJTUPNYJQHTOZ-UHFFFAOYSA-N
XLogP1.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,4-difluorocyclohexyl)amino]ethanol?
The IUPAC name of 2-[(4,4-difluorocyclohexyl)amino]ethanol (CID 129320071) is 2-[(4,4-difluorocyclohexyl)amino]ethanol.
What is the SMILES notation for 2-[(4,4-difluorocyclohexyl)amino]ethanol?
The canonical SMILES for 2-[(4,4-difluorocyclohexyl)amino]ethanol is OCCNC1CCC(F)(F)CC1.
What is the InChIKey of 2-[(4,4-difluorocyclohexyl)amino]ethanol?
The InChIKey is FSJTUPNYJQHTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c9-8(10)3-1-7(2-4-8)11-5-6-12/h7,11-12H,1-6H2.
What are the key properties of 2-[(4,4-difluorocyclohexyl)amino]ethanol?
2-[(4,4-difluorocyclohexyl)amino]ethanol has a molecular weight of 179.21 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,4-difluorocyclohexyl)amino]ethanol is sourced from PubChem (CID 129320071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).