[2-(3-fluoropropoxy)cyclopentyl]methanamine

C9H18FNO — CID 81113274

IUPAC[2-(3-fluoropropoxy)cyclopentyl]methanamine
SMILESNCC1CCCC1OCCCF
InChIInChI=1S/C9H18FNO/c10-5-2-6-12-9-4-1-3-8(9)7-11/h8-9H,1-7,11H2
InChIKeySNPIPXUBTGPKHM-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.49
Rot. Bonds5

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

[2-(3-fluoropropoxy)cyclopentyl]methanamine (PubChem CID 81113274) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is [2-(3-fluoropropoxy)cyclopentyl]methanamine.

Molecular Properties

Compound Name[2-(3-fluoropropoxy)cyclopentyl]methanamine
PubChem CID81113274
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name[2-(3-fluoropropoxy)cyclopentyl]methanamine
SMILESNCC1CCCC1OCCCF
InChIInChI=1S/C9H18FNO/c10-5-2-6-12-9-4-1-3-8(9)7-11/h8-9H,1-7,11H2
InChIKeySNPIPXUBTGPKHM-UHFFFAOYSA-N
XLogP1.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.49
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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Frequently Asked Questions

What is the IUPAC name of [2-(3-fluoropropoxy)cyclopentyl]methanamine?
The IUPAC name of [2-(3-fluoropropoxy)cyclopentyl]methanamine (CID 81113274) is [2-(3-fluoropropoxy)cyclopentyl]methanamine.
What is the SMILES notation for [2-(3-fluoropropoxy)cyclopentyl]methanamine?
The canonical SMILES for [2-(3-fluoropropoxy)cyclopentyl]methanamine is NCC1CCCC1OCCCF.
What is the InChIKey of [2-(3-fluoropropoxy)cyclopentyl]methanamine?
The InChIKey is SNPIPXUBTGPKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c10-5-2-6-12-9-4-1-3-8(9)7-11/h8-9H,1-7,11H2.
What are the key properties of [2-(3-fluoropropoxy)cyclopentyl]methanamine?
[2-(3-fluoropropoxy)cyclopentyl]methanamine has a molecular weight of 175.25 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluoropropoxy)cyclopentyl]methanamine is sourced from PubChem (CID 81113274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).