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

C8H15F2NO — CID 65109046

IUPAC1-[(2,2-difluoroethylamino)methyl]cyclopentan-1-ol
SMILESOC1(CNCC(F)F)CCCC1
InChIInChI=1S/C8H15F2NO/c9-7(10)5-11-6-8(12)3-1-2-4-8/h7,11-12H,1-6H2
InChIKeyXRCOCMRYNXBUMP-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.15
Rot. Bonds4

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

1-[(2,2-difluoroethylamino)methyl]cyclopentan-1-ol (PubChem CID 65109046) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is 1-[(2,2-difluoroethylamino)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[(2,2-difluoroethylamino)methyl]cyclopentan-1-ol
PubChem CID65109046
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name1-[(2,2-difluoroethylamino)methyl]cyclopentan-1-ol
SMILESOC1(CNCC(F)F)CCCC1
InChIInChI=1S/C8H15F2NO/c9-7(10)5-11-6-8(12)3-1-2-4-8/h7,11-12H,1-6H2
InChIKeyXRCOCMRYNXBUMP-UHFFFAOYSA-N
XLogP1.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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 1-[(2,2-difluoroethylamino)methyl]cyclopentan-1-ol?
The IUPAC name of 1-[(2,2-difluoroethylamino)methyl]cyclopentan-1-ol (CID 65109046) is 1-[(2,2-difluoroethylamino)methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[(2,2-difluoroethylamino)methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[(2,2-difluoroethylamino)methyl]cyclopentan-1-ol is OC1(CNCC(F)F)CCCC1.
What is the InChIKey of 1-[(2,2-difluoroethylamino)methyl]cyclopentan-1-ol?
The InChIKey is XRCOCMRYNXBUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c9-7(10)5-11-6-8(12)3-1-2-4-8/h7,11-12H,1-6H2.
What are the key properties of 1-[(2,2-difluoroethylamino)methyl]cyclopentan-1-ol?
1-[(2,2-difluoroethylamino)methyl]cyclopentan-1-ol has a molecular weight of 179.21 g/mol, XLogP of 1.15, 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]cyclopentan-1-ol is sourced from PubChem (CID 65109046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).