[1-(3-fluoropropoxy)-4,4-dimethylcyclohexyl]methanamine

C12H24FNO — CID 81107245

IUPAC[1-(3-fluoropropoxy)-4,4-dimethylcyclohexyl]methanamine
SMILESCC1(C)CCC(CN)(OCCCF)CC1
InChIInChI=1S/C12H24FNO/c1-11(2)4-6-12(10-14,7-5-11)15-9-3-8-13/h3-10,14H2,1-2H3
InChIKeyASIAKNACBJYUNV-UHFFFAOYSA-N
MW217.33 g/mol
LogP2.66
Rot. Bonds5

About [1-(3-fluoropropoxy)-4,4-dimethylcyclohexyl]methanamine

[1-(3-fluoropropoxy)-4,4-dimethylcyclohexyl]methanamine (PubChem CID 81107245) has the molecular formula C12H24FNO and a molecular weight of 217.33 g/mol. Its IUPAC name is [1-(3-fluoropropoxy)-4,4-dimethylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(3-fluoropropoxy)-4,4-dimethylcyclohexyl]methanamine
PubChem CID81107245
Molecular FormulaC12H24FNO
Molecular Weight217.33 g/mol
Exact Mass217.18
IUPAC Name[1-(3-fluoropropoxy)-4,4-dimethylcyclohexyl]methanamine
SMILESCC1(C)CCC(CN)(OCCCF)CC1
InChIInChI=1S/C12H24FNO/c1-11(2)4-6-12(10-14,7-5-11)15-9-3-8-13/h3-10,14H2,1-2H3
InChIKeyASIAKNACBJYUNV-UHFFFAOYSA-N
XLogP2.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.33
LogP ≤ 52.66
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)-4,4-dimethylcyclohexyl]methanamine?
The IUPAC name of [1-(3-fluoropropoxy)-4,4-dimethylcyclohexyl]methanamine (CID 81107245) is [1-(3-fluoropropoxy)-4,4-dimethylcyclohexyl]methanamine.
What is the SMILES notation for [1-(3-fluoropropoxy)-4,4-dimethylcyclohexyl]methanamine?
The canonical SMILES for [1-(3-fluoropropoxy)-4,4-dimethylcyclohexyl]methanamine is CC1(C)CCC(CN)(OCCCF)CC1.
What is the InChIKey of [1-(3-fluoropropoxy)-4,4-dimethylcyclohexyl]methanamine?
The InChIKey is ASIAKNACBJYUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24FNO/c1-11(2)4-6-12(10-14,7-5-11)15-9-3-8-13/h3-10,14H2,1-2H3.
What are the key properties of [1-(3-fluoropropoxy)-4,4-dimethylcyclohexyl]methanamine?
[1-(3-fluoropropoxy)-4,4-dimethylcyclohexyl]methanamine has a molecular weight of 217.33 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-fluoropropoxy)-4,4-dimethylcyclohexyl]methanamine is sourced from PubChem (CID 81107245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).