[1-(2,2-difluoroethylamino)cyclohexyl]methanol

C9H17F2NO — CID 62520277

IUPAC[1-(2,2-difluoroethylamino)cyclohexyl]methanol
SMILESOCC1(NCC(F)F)CCCCC1
InChIInChI=1S/C9H17F2NO/c10-8(11)6-12-9(7-13)4-2-1-3-5-9/h8,12-13H,1-7H2
InChIKeySSFJGBIJISYBFX-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.54
Rot. Bonds4

About [1-(2,2-difluoroethylamino)cyclohexyl]methanol

[1-(2,2-difluoroethylamino)cyclohexyl]methanol (PubChem CID 62520277) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is [1-(2,2-difluoroethylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[1-(2,2-difluoroethylamino)cyclohexyl]methanol
PubChem CID62520277
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name[1-(2,2-difluoroethylamino)cyclohexyl]methanol
SMILESOCC1(NCC(F)F)CCCCC1
InChIInChI=1S/C9H17F2NO/c10-8(11)6-12-9(7-13)4-2-1-3-5-9/h8,12-13H,1-7H2
InChIKeySSFJGBIJISYBFX-UHFFFAOYSA-N
XLogP1.54
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 ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(2,2-difluoroethylamino)cyclohexyl]methanol?
The IUPAC name of [1-(2,2-difluoroethylamino)cyclohexyl]methanol (CID 62520277) is [1-(2,2-difluoroethylamino)cyclohexyl]methanol.
What is the SMILES notation for [1-(2,2-difluoroethylamino)cyclohexyl]methanol?
The canonical SMILES for [1-(2,2-difluoroethylamino)cyclohexyl]methanol is OCC1(NCC(F)F)CCCCC1.
What is the InChIKey of [1-(2,2-difluoroethylamino)cyclohexyl]methanol?
The InChIKey is SSFJGBIJISYBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c10-8(11)6-12-9(7-13)4-2-1-3-5-9/h8,12-13H,1-7H2.
What are the key properties of [1-(2,2-difluoroethylamino)cyclohexyl]methanol?
[1-(2,2-difluoroethylamino)cyclohexyl]methanol has a molecular weight of 193.24 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2-difluoroethylamino)cyclohexyl]methanol is sourced from PubChem (CID 62520277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).