2-(3-fluoropropoxy)-N-methylcyclohexan-1-amine

C10H20FNO — CID 102633294

IUPAC2-(3-fluoropropoxy)-N-methylcyclohexan-1-amine
SMILESCNC1CCCCC1OCCCF
InChIInChI=1S/C10H20FNO/c1-12-9-5-2-3-6-10(9)13-8-4-7-11/h9-10,12H,2-8H2,1H3
InChIKeyXQHVUTHOEQONTD-UHFFFAOYSA-N
MW189.27 g/mol
LogP1.89
Rot. Bonds5

About 2-(3-fluoropropoxy)-N-methylcyclohexan-1-amine

2-(3-fluoropropoxy)-N-methylcyclohexan-1-amine (PubChem CID 102633294) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is 2-(3-fluoropropoxy)-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(3-fluoropropoxy)-N-methylcyclohexan-1-amine
PubChem CID102633294
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC Name2-(3-fluoropropoxy)-N-methylcyclohexan-1-amine
SMILESCNC1CCCCC1OCCCF
InChIInChI=1S/C10H20FNO/c1-12-9-5-2-3-6-10(9)13-8-4-7-11/h9-10,12H,2-8H2,1H3
InChIKeyXQHVUTHOEQONTD-UHFFFAOYSA-N
XLogP1.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 51.89
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)-N-methylcyclohexan-1-amine?
The IUPAC name of 2-(3-fluoropropoxy)-N-methylcyclohexan-1-amine (CID 102633294) is 2-(3-fluoropropoxy)-N-methylcyclohexan-1-amine.
What is the SMILES notation for 2-(3-fluoropropoxy)-N-methylcyclohexan-1-amine?
The canonical SMILES for 2-(3-fluoropropoxy)-N-methylcyclohexan-1-amine is CNC1CCCCC1OCCCF.
What is the InChIKey of 2-(3-fluoropropoxy)-N-methylcyclohexan-1-amine?
The InChIKey is XQHVUTHOEQONTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FNO/c1-12-9-5-2-3-6-10(9)13-8-4-7-11/h9-10,12H,2-8H2,1H3.
What are the key properties of 2-(3-fluoropropoxy)-N-methylcyclohexan-1-amine?
2-(3-fluoropropoxy)-N-methylcyclohexan-1-amine has a molecular weight of 189.27 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoropropoxy)-N-methylcyclohexan-1-amine is sourced from PubChem (CID 102633294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).