4-[(2,2-difluoroethylamino)methyl]cyclohexan-1-ol

C9H17F2NO — CID 106133322

IUPAC4-[(2,2-difluoroethylamino)methyl]cyclohexan-1-ol
SMILESOC1CCC(CNCC(F)F)CC1
InChIInChI=1S/C9H17F2NO/c10-9(11)6-12-5-7-1-3-8(13)4-2-7/h7-9,12-13H,1-6H2
InChIKeyNVYLOALUIPRMJA-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.39
Rot. Bonds4

About 4-[(2,2-difluoroethylamino)methyl]cyclohexan-1-ol

4-[(2,2-difluoroethylamino)methyl]cyclohexan-1-ol (PubChem CID 106133322) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 4-[(2,2-difluoroethylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(2,2-difluoroethylamino)methyl]cyclohexan-1-ol
PubChem CID106133322
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name4-[(2,2-difluoroethylamino)methyl]cyclohexan-1-ol
SMILESOC1CCC(CNCC(F)F)CC1
InChIInChI=1S/C9H17F2NO/c10-9(11)6-12-5-7-1-3-8(13)4-2-7/h7-9,12-13H,1-6H2
InChIKeyNVYLOALUIPRMJA-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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-difluoroethylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 4-[(2,2-difluoroethylamino)methyl]cyclohexan-1-ol (CID 106133322) is 4-[(2,2-difluoroethylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[(2,2-difluoroethylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[(2,2-difluoroethylamino)methyl]cyclohexan-1-ol is OC1CCC(CNCC(F)F)CC1.
What is the InChIKey of 4-[(2,2-difluoroethylamino)methyl]cyclohexan-1-ol?
The InChIKey is NVYLOALUIPRMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c10-9(11)6-12-5-7-1-3-8(13)4-2-7/h7-9,12-13H,1-6H2.
What are the key properties of 4-[(2,2-difluoroethylamino)methyl]cyclohexan-1-ol?
4-[(2,2-difluoroethylamino)methyl]cyclohexan-1-ol 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 4-[(2,2-difluoroethylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 106133322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).