[2-(3-fluoropropoxymethyl)cyclopentyl]methanamine

C10H20FNO — CID 81113510

IUPAC[2-(3-fluoropropoxymethyl)cyclopentyl]methanamine
SMILESNCC1CCCC1COCCCF
InChIInChI=1S/C10H20FNO/c11-5-2-6-13-8-10-4-1-3-9(10)7-12/h9-10H,1-8,12H2
InChIKeyMWEHEYBUTGOVQK-UHFFFAOYSA-N
MW189.27 g/mol
LogP1.74
Rot. Bonds6

About [2-(3-fluoropropoxymethyl)cyclopentyl]methanamine

[2-(3-fluoropropoxymethyl)cyclopentyl]methanamine (PubChem CID 81113510) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is [2-(3-fluoropropoxymethyl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[2-(3-fluoropropoxymethyl)cyclopentyl]methanamine
PubChem CID81113510
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC Name[2-(3-fluoropropoxymethyl)cyclopentyl]methanamine
SMILESNCC1CCCC1COCCCF
InChIInChI=1S/C10H20FNO/c11-5-2-6-13-8-10-4-1-3-9(10)7-12/h9-10H,1-8,12H2
InChIKeyMWEHEYBUTGOVQK-UHFFFAOYSA-N
XLogP1.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2,2,2-Trifluoroethoxy)ethyl]cyclopentan-1-amine
CID 61490905
[2-(2,2-Difluoroethoxymethyl)cyclopentyl]methanamine
CID 65915466
[2-(3,3,3-Trifluoropropoxymethyl)cyclopentyl]methanamine
CID 65917461
[2-(2,2,2-Trifluoroethoxymethyl)cyclopentyl]methanamine
CID 65917468
[2-[3-(2,2,2-Trifluoroethoxy)propoxymethyl]cyclopentyl]methanamine
CID 65917885
[2-[2-(2,2,2-Trifluoroethoxy)ethoxymethyl]cyclopentyl]methanamine
CID 65918082
[2-[2-(Trifluoromethoxy)ethoxymethyl]cyclopentyl]methanamine
CID 65918094
[2-(2-Fluoroethoxymethyl)cyclohexyl]methanamine
CID 80695095
[2-(2-Fluoroethoxymethyl)cyclopentyl]methanamine
CID 80695252
[2-[3-(2,2,2-Trifluoroethoxy)propyl]cyclopentyl]methanamine
CID 81010015
[2-(3-Fluoropropoxymethyl)cyclohexyl]methanamine
CID 81113388
2-[2-(2,2-Difluoroethoxy)ethyl]cyclopentan-1-amine
CID 82004231

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluoropropoxymethyl)cyclopentyl]methanamine?
The IUPAC name of [2-(3-fluoropropoxymethyl)cyclopentyl]methanamine (CID 81113510) is [2-(3-fluoropropoxymethyl)cyclopentyl]methanamine.
What is the SMILES notation for [2-(3-fluoropropoxymethyl)cyclopentyl]methanamine?
The canonical SMILES for [2-(3-fluoropropoxymethyl)cyclopentyl]methanamine is NCC1CCCC1COCCCF.
What is the InChIKey of [2-(3-fluoropropoxymethyl)cyclopentyl]methanamine?
The InChIKey is MWEHEYBUTGOVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO/c11-5-2-6-13-8-10-4-1-3-9(10)7-12/h9-10H,1-8,12H2.
What are the key properties of [2-(3-fluoropropoxymethyl)cyclopentyl]methanamine?
[2-(3-fluoropropoxymethyl)cyclopentyl]methanamine has a molecular weight of 189.27 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluoropropoxymethyl)cyclopentyl]methanamine is sourced from PubChem (CID 81113510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).