[4,4-bis(fluoromethoxy)cyclohexyl]methanamine

C9H17F2NO2 — CID 121416772

IUPAC[4,4-bis(fluoromethoxy)cyclohexyl]methanamine
SMILESNCC1CCC(OCF)(OCF)CC1
InChIInChI=1S/C9H17F2NO2/c10-6-13-9(14-7-11)3-1-8(5-12)2-4-9/h8H,1-7,12H2
InChIKeyUTTAOOCCXAUQFL-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.72
Rot. Bonds5

About [4,4-bis(fluoromethoxy)cyclohexyl]methanamine

[4,4-bis(fluoromethoxy)cyclohexyl]methanamine (PubChem CID 121416772) has the molecular formula C9H17F2NO2 and a molecular weight of 209.24 g/mol. Its IUPAC name is [4,4-bis(fluoromethoxy)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4,4-bis(fluoromethoxy)cyclohexyl]methanamine
PubChem CID121416772
Molecular FormulaC9H17F2NO2
Molecular Weight209.24 g/mol
Exact Mass209.12
IUPAC Name[4,4-bis(fluoromethoxy)cyclohexyl]methanamine
SMILESNCC1CCC(OCF)(OCF)CC1
InChIInChI=1S/C9H17F2NO2/c10-6-13-9(14-7-11)3-1-8(5-12)2-4-9/h8H,1-7,12H2
InChIKeyUTTAOOCCXAUQFL-UHFFFAOYSA-N
XLogP1.72
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4,4-bis(fluoromethoxy)cyclohexyl]methanamine?
The IUPAC name of [4,4-bis(fluoromethoxy)cyclohexyl]methanamine (CID 121416772) is [4,4-bis(fluoromethoxy)cyclohexyl]methanamine.
What is the SMILES notation for [4,4-bis(fluoromethoxy)cyclohexyl]methanamine?
The canonical SMILES for [4,4-bis(fluoromethoxy)cyclohexyl]methanamine is NCC1CCC(OCF)(OCF)CC1.
What is the InChIKey of [4,4-bis(fluoromethoxy)cyclohexyl]methanamine?
The InChIKey is UTTAOOCCXAUQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO2/c10-6-13-9(14-7-11)3-1-8(5-12)2-4-9/h8H,1-7,12H2.
What are the key properties of [4,4-bis(fluoromethoxy)cyclohexyl]methanamine?
[4,4-bis(fluoromethoxy)cyclohexyl]methanamine has a molecular weight of 209.24 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4-bis(fluoromethoxy)cyclohexyl]methanamine is sourced from PubChem (CID 121416772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).