[1,4-bis(fluoromethoxy)cyclohexa-2,4-dien-1-yl]methanamine

C9H13F2NO2 — CID 154134418

IUPAC[1,4-bis(fluoromethoxy)cyclohexa-2,4-dien-1-yl]methanamine
SMILESNCC1(OCF)C=CC(OCF)=CC1
InChIInChI=1S/C9H13F2NO2/c10-6-13-8-1-3-9(5-12,4-2-8)14-7-11/h1-3H,4-7,12H2
InChIKeyBIMUPRIHCXUQBZ-UHFFFAOYSA-N
MW205.20 g/mol
LogP1.41
Rot. Bonds5

About [1,4-bis(fluoromethoxy)cyclohexa-2,4-dien-1-yl]methanamine

[1,4-bis(fluoromethoxy)cyclohexa-2,4-dien-1-yl]methanamine (PubChem CID 154134418) has the molecular formula C9H13F2NO2 and a molecular weight of 205.20 g/mol. Its IUPAC name is [1,4-bis(fluoromethoxy)cyclohexa-2,4-dien-1-yl]methanamine.

Molecular Properties

Compound Name[1,4-bis(fluoromethoxy)cyclohexa-2,4-dien-1-yl]methanamine
PubChem CID154134418
Molecular FormulaC9H13F2NO2
Molecular Weight205.20 g/mol
Exact Mass205.09
IUPAC Name[1,4-bis(fluoromethoxy)cyclohexa-2,4-dien-1-yl]methanamine
SMILESNCC1(OCF)C=CC(OCF)=CC1
InChIInChI=1S/C9H13F2NO2/c10-6-13-8-1-3-9(5-12,4-2-8)14-7-11/h1-3H,4-7,12H2
InChIKeyBIMUPRIHCXUQBZ-UHFFFAOYSA-N
XLogP1.41
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.20
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1,4-bis(fluoromethoxy)cyclohexa-2,4-dien-1-yl]methanamine?
The IUPAC name of [1,4-bis(fluoromethoxy)cyclohexa-2,4-dien-1-yl]methanamine (CID 154134418) is [1,4-bis(fluoromethoxy)cyclohexa-2,4-dien-1-yl]methanamine.
What is the SMILES notation for [1,4-bis(fluoromethoxy)cyclohexa-2,4-dien-1-yl]methanamine?
The canonical SMILES for [1,4-bis(fluoromethoxy)cyclohexa-2,4-dien-1-yl]methanamine is NCC1(OCF)C=CC(OCF)=CC1.
What is the InChIKey of [1,4-bis(fluoromethoxy)cyclohexa-2,4-dien-1-yl]methanamine?
The InChIKey is BIMUPRIHCXUQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2NO2/c10-6-13-8-1-3-9(5-12,4-2-8)14-7-11/h1-3H,4-7,12H2.
What are the key properties of [1,4-bis(fluoromethoxy)cyclohexa-2,4-dien-1-yl]methanamine?
[1,4-bis(fluoromethoxy)cyclohexa-2,4-dien-1-yl]methanamine has a molecular weight of 205.20 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1,4-bis(fluoromethoxy)cyclohexa-2,4-dien-1-yl]methanamine is sourced from PubChem (CID 154134418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).