1-[(2,2-difluoroethylamino)methyl]cycloheptan-1-ol

C10H19F2NO — CID 65123161

IUPAC1-[(2,2-difluoroethylamino)methyl]cycloheptan-1-ol
SMILESOC1(CNCC(F)F)CCCCCC1
InChIInChI=1S/C10H19F2NO/c11-9(12)7-13-8-10(14)5-3-1-2-4-6-10/h9,13-14H,1-8H2
InChIKeyGVBWMCADCNJTQG-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.93
Rot. Bonds4

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

1-[(2,2-difluoroethylamino)methyl]cycloheptan-1-ol (PubChem CID 65123161) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is 1-[(2,2-difluoroethylamino)methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[(2,2-difluoroethylamino)methyl]cycloheptan-1-ol
PubChem CID65123161
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Name1-[(2,2-difluoroethylamino)methyl]cycloheptan-1-ol
SMILESOC1(CNCC(F)F)CCCCCC1
InChIInChI=1S/C10H19F2NO/c11-9(12)7-13-8-10(14)5-3-1-2-4-6-10/h9,13-14H,1-8H2
InChIKeyGVBWMCADCNJTQG-UHFFFAOYSA-N
XLogP1.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.93
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)methyl]cycloheptan-1-ol?
The IUPAC name of 1-[(2,2-difluoroethylamino)methyl]cycloheptan-1-ol (CID 65123161) is 1-[(2,2-difluoroethylamino)methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[(2,2-difluoroethylamino)methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[(2,2-difluoroethylamino)methyl]cycloheptan-1-ol is OC1(CNCC(F)F)CCCCCC1.
What is the InChIKey of 1-[(2,2-difluoroethylamino)methyl]cycloheptan-1-ol?
The InChIKey is GVBWMCADCNJTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO/c11-9(12)7-13-8-10(14)5-3-1-2-4-6-10/h9,13-14H,1-8H2.
What are the key properties of 1-[(2,2-difluoroethylamino)methyl]cycloheptan-1-ol?
1-[(2,2-difluoroethylamino)methyl]cycloheptan-1-ol has a molecular weight of 207.26 g/mol, XLogP of 1.93, 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)methyl]cycloheptan-1-ol is sourced from PubChem (CID 65123161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).