1-(aminomethyl)-2-[2-(2,2-difluoroethoxy)ethyl]cyclopentan-1-ol

C10H19F2NO2 — CID 82009451

IUPAC1-(aminomethyl)-2-[2-(2,2-difluoroethoxy)ethyl]cyclopentan-1-ol
SMILESNCC1(O)CCCC1CCOCC(F)F
InChIInChI=1S/C10H19F2NO2/c11-9(12)6-15-5-3-8-2-1-4-10(8,14)7-13/h8-9,14H,1-7,13H2
InChIKeyGSORETNEJMYIOJ-UHFFFAOYSA-N
MW223.26 g/mol
LogP1.15
Rot. Bonds6

About 1-(aminomethyl)-2-[2-(2,2-difluoroethoxy)ethyl]cyclopentan-1-ol

1-(aminomethyl)-2-[2-(2,2-difluoroethoxy)ethyl]cyclopentan-1-ol (PubChem CID 82009451) has the molecular formula C10H19F2NO2 and a molecular weight of 223.26 g/mol. Its IUPAC name is 1-(aminomethyl)-2-[2-(2,2-difluoroethoxy)ethyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-(aminomethyl)-2-[2-(2,2-difluoroethoxy)ethyl]cyclopentan-1-ol
PubChem CID82009451
Molecular FormulaC10H19F2NO2
Molecular Weight223.26 g/mol
Exact Mass223.14
IUPAC Name1-(aminomethyl)-2-[2-(2,2-difluoroethoxy)ethyl]cyclopentan-1-ol
SMILESNCC1(O)CCCC1CCOCC(F)F
InChIInChI=1S/C10H19F2NO2/c11-9(12)6-15-5-3-8-2-1-4-10(8,14)7-13/h8-9,14H,1-7,13H2
InChIKeyGSORETNEJMYIOJ-UHFFFAOYSA-N
XLogP1.15
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.26
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(Aminomethyl)-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentan-1-ol
CID 79586557
1-(Aminomethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-ol
CID 79587788
1-(Aminomethyl)-2-[2-(4,4,4-trifluorobutoxy)ethyl]cyclopentan-1-ol
CID 82794955
1-(Aminomethyl)-2-[2-(3,3,3-trifluoropropoxy)ethyl]cyclopentan-1-ol
CID 82957535
2-(3-Aminopropyl)-1-(trifluoromethyl)cyclopentan-1-ol
CID 84734515
1-(Aminomethyl)-2-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethyl]cyclopentan-1-ol
CID 102723519
1-(Aminomethyl)-2-[2-(1-methoxypropan-2-yloxy)ethyl]cyclopentan-1-ol
CID 79586540
1-(Aminomethyl)-2-(2-heptoxyethyl)cyclopentan-1-ol
CID 79586543
1-(Aminomethyl)-2-[2-(4-methylpentan-2-yloxy)ethyl]cyclopentan-1-ol
CID 79586545
1-(Aminomethyl)-2-[2-(3,3-dimethylbutoxy)ethyl]cyclopentan-1-ol
CID 79586556
1-(Aminomethyl)-2-[2-(2-propan-2-yloxyethoxy)ethyl]cyclopentan-1-ol
CID 79586692
1-(Aminomethyl)-2-[2-(cyclopentylmethoxy)ethyl]cyclopentan-1-ol
CID 79586702

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-2-[2-(2,2-difluoroethoxy)ethyl]cyclopentan-1-ol?
The IUPAC name of 1-(aminomethyl)-2-[2-(2,2-difluoroethoxy)ethyl]cyclopentan-1-ol (CID 82009451) is 1-(aminomethyl)-2-[2-(2,2-difluoroethoxy)ethyl]cyclopentan-1-ol.
What is the SMILES notation for 1-(aminomethyl)-2-[2-(2,2-difluoroethoxy)ethyl]cyclopentan-1-ol?
The canonical SMILES for 1-(aminomethyl)-2-[2-(2,2-difluoroethoxy)ethyl]cyclopentan-1-ol is NCC1(O)CCCC1CCOCC(F)F.
What is the InChIKey of 1-(aminomethyl)-2-[2-(2,2-difluoroethoxy)ethyl]cyclopentan-1-ol?
The InChIKey is GSORETNEJMYIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO2/c11-9(12)6-15-5-3-8-2-1-4-10(8,14)7-13/h8-9,14H,1-7,13H2.
What are the key properties of 1-(aminomethyl)-2-[2-(2,2-difluoroethoxy)ethyl]cyclopentan-1-ol?
1-(aminomethyl)-2-[2-(2,2-difluoroethoxy)ethyl]cyclopentan-1-ol has a molecular weight of 223.26 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-2-[2-(2,2-difluoroethoxy)ethyl]cyclopentan-1-ol is sourced from PubChem (CID 82009451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).