[1-(3-fluoropropoxy)-3-methylcyclohexyl]methanamine

C11H22FNO — CID 81107366

IUPAC[1-(3-fluoropropoxy)-3-methylcyclohexyl]methanamine
SMILESCC1CCCC(CN)(OCCCF)C1
InChIInChI=1S/C11H22FNO/c1-10-4-2-5-11(8-10,9-13)14-7-3-6-12/h10H,2-9,13H2,1H3
InChIKeyPWJROYCMHZFTCO-UHFFFAOYSA-N
MW203.30 g/mol
LogP2.27
Rot. Bonds5

About [1-(3-fluoropropoxy)-3-methylcyclohexyl]methanamine

[1-(3-fluoropropoxy)-3-methylcyclohexyl]methanamine (PubChem CID 81107366) has the molecular formula C11H22FNO and a molecular weight of 203.30 g/mol. Its IUPAC name is [1-(3-fluoropropoxy)-3-methylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(3-fluoropropoxy)-3-methylcyclohexyl]methanamine
PubChem CID81107366
Molecular FormulaC11H22FNO
Molecular Weight203.30 g/mol
Exact Mass203.17
IUPAC Name[1-(3-fluoropropoxy)-3-methylcyclohexyl]methanamine
SMILESCC1CCCC(CN)(OCCCF)C1
InChIInChI=1S/C11H22FNO/c1-10-4-2-5-11(8-10,9-13)14-7-3-6-12/h10H,2-9,13H2,1H3
InChIKeyPWJROYCMHZFTCO-UHFFFAOYSA-N
XLogP2.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.30
LogP ≤ 52.27
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-fluoropropoxy)-3-methylcyclohexyl]methanamine?
The IUPAC name of [1-(3-fluoropropoxy)-3-methylcyclohexyl]methanamine (CID 81107366) is [1-(3-fluoropropoxy)-3-methylcyclohexyl]methanamine.
What is the SMILES notation for [1-(3-fluoropropoxy)-3-methylcyclohexyl]methanamine?
The canonical SMILES for [1-(3-fluoropropoxy)-3-methylcyclohexyl]methanamine is CC1CCCC(CN)(OCCCF)C1.
What is the InChIKey of [1-(3-fluoropropoxy)-3-methylcyclohexyl]methanamine?
The InChIKey is PWJROYCMHZFTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FNO/c1-10-4-2-5-11(8-10,9-13)14-7-3-6-12/h10H,2-9,13H2,1H3.
What are the key properties of [1-(3-fluoropropoxy)-3-methylcyclohexyl]methanamine?
[1-(3-fluoropropoxy)-3-methylcyclohexyl]methanamine has a molecular weight of 203.30 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluoropropoxy)-3-methylcyclohexyl]methanamine is sourced from PubChem (CID 81107366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).