1-(3-fluoropropoxymethyl)cyclopentan-1-amine

C9H18FNO — CID 81113044

IUPAC1-(3-fluoropropoxymethyl)cyclopentan-1-amine
SMILESNC1(COCCCF)CCCC1
InChIInChI=1S/C9H18FNO/c10-6-3-7-12-8-9(11)4-1-2-5-9/h1-8,11H2
InChIKeyUAAZIRWRSMEOGF-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.63
Rot. Bonds5

About 1-(3-fluoropropoxymethyl)cyclopentan-1-amine

1-(3-fluoropropoxymethyl)cyclopentan-1-amine (PubChem CID 81113044) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is 1-(3-fluoropropoxymethyl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(3-fluoropropoxymethyl)cyclopentan-1-amine
PubChem CID81113044
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name1-(3-fluoropropoxymethyl)cyclopentan-1-amine
SMILESNC1(COCCCF)CCCC1
InChIInChI=1S/C9H18FNO/c10-6-3-7-12-8-9(11)4-1-2-5-9/h1-8,11H2
InChIKeyUAAZIRWRSMEOGF-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
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 1-(3-fluoropropoxymethyl)cyclopentan-1-amine?
The IUPAC name of 1-(3-fluoropropoxymethyl)cyclopentan-1-amine (CID 81113044) is 1-(3-fluoropropoxymethyl)cyclopentan-1-amine.
What is the SMILES notation for 1-(3-fluoropropoxymethyl)cyclopentan-1-amine?
The canonical SMILES for 1-(3-fluoropropoxymethyl)cyclopentan-1-amine is NC1(COCCCF)CCCC1.
What is the InChIKey of 1-(3-fluoropropoxymethyl)cyclopentan-1-amine?
The InChIKey is UAAZIRWRSMEOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c10-6-3-7-12-8-9(11)4-1-2-5-9/h1-8,11H2.
What are the key properties of 1-(3-fluoropropoxymethyl)cyclopentan-1-amine?
1-(3-fluoropropoxymethyl)cyclopentan-1-amine has a molecular weight of 175.25 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropoxymethyl)cyclopentan-1-amine is sourced from PubChem (CID 81113044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).