[1-amino-3-(2,2-difluoroethoxy)cyclopentyl]methanol

C8H15F2NO2 — CID 82009909

IUPAC[1-amino-3-(2,2-difluoroethoxy)cyclopentyl]methanol
SMILESNC1(CO)CCC(OCC(F)F)C1
InChIInChI=1S/C8H15F2NO2/c9-7(10)4-13-6-1-2-8(11,3-6)5-12/h6-7,12H,1-5,11H2
InChIKeyIGJMMIRXQYUQAV-UHFFFAOYSA-N
MW195.21 g/mol
LogP0.51
Rot. Bonds4

About [1-amino-3-(2,2-difluoroethoxy)cyclopentyl]methanol

[1-amino-3-(2,2-difluoroethoxy)cyclopentyl]methanol (PubChem CID 82009909) has the molecular formula C8H15F2NO2 and a molecular weight of 195.21 g/mol. Its IUPAC name is [1-amino-3-(2,2-difluoroethoxy)cyclopentyl]methanol.

Molecular Properties

Compound Name[1-amino-3-(2,2-difluoroethoxy)cyclopentyl]methanol
PubChem CID82009909
Molecular FormulaC8H15F2NO2
Molecular Weight195.21 g/mol
Exact Mass195.11
IUPAC Name[1-amino-3-(2,2-difluoroethoxy)cyclopentyl]methanol
SMILESNC1(CO)CCC(OCC(F)F)C1
InChIInChI=1S/C8H15F2NO2/c9-7(10)4-13-6-1-2-8(11,3-6)5-12/h6-7,12H,1-5,11H2
InChIKeyIGJMMIRXQYUQAV-UHFFFAOYSA-N
XLogP0.51
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-amino-3-(2,2-difluoroethoxy)cyclopentyl]methanol?
The IUPAC name of [1-amino-3-(2,2-difluoroethoxy)cyclopentyl]methanol (CID 82009909) is [1-amino-3-(2,2-difluoroethoxy)cyclopentyl]methanol.
What is the SMILES notation for [1-amino-3-(2,2-difluoroethoxy)cyclopentyl]methanol?
The canonical SMILES for [1-amino-3-(2,2-difluoroethoxy)cyclopentyl]methanol is NC1(CO)CCC(OCC(F)F)C1.
What is the InChIKey of [1-amino-3-(2,2-difluoroethoxy)cyclopentyl]methanol?
The InChIKey is IGJMMIRXQYUQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO2/c9-7(10)4-13-6-1-2-8(11,3-6)5-12/h6-7,12H,1-5,11H2.
What are the key properties of [1-amino-3-(2,2-difluoroethoxy)cyclopentyl]methanol?
[1-amino-3-(2,2-difluoroethoxy)cyclopentyl]methanol has a molecular weight of 195.21 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-3-(2,2-difluoroethoxy)cyclopentyl]methanol is sourced from PubChem (CID 82009909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).