[4-(2,2-difluoroethoxy)-2-methylcyclohexa-1,5-dien-1-yl]methanamine

C10H15F2NO — CID 87688749

IUPAC[4-(2,2-difluoroethoxy)-2-methylcyclohexa-1,5-dien-1-yl]methanamine
SMILESCC1=C(CN)C=CC(OCC(F)F)C1
InChIInChI=1S/C10H15F2NO/c1-7-4-9(14-6-10(11)12)3-2-8(7)5-13/h2-3,9-10H,4-6,13H2,1H3
InChIKeyDUTREYXEVCAZBA-UHFFFAOYSA-N
MW203.23 g/mol
LogP1.87
Rot. Bonds4

About [4-(2,2-difluoroethoxy)-2-methylcyclohexa-1,5-dien-1-yl]methanamine

[4-(2,2-difluoroethoxy)-2-methylcyclohexa-1,5-dien-1-yl]methanamine (PubChem CID 87688749) has the molecular formula C10H15F2NO and a molecular weight of 203.23 g/mol. Its IUPAC name is [4-(2,2-difluoroethoxy)-2-methylcyclohexa-1,5-dien-1-yl]methanamine.

Molecular Properties

Compound Name[4-(2,2-difluoroethoxy)-2-methylcyclohexa-1,5-dien-1-yl]methanamine
PubChem CID87688749
Molecular FormulaC10H15F2NO
Molecular Weight203.23 g/mol
Exact Mass203.11
IUPAC Name[4-(2,2-difluoroethoxy)-2-methylcyclohexa-1,5-dien-1-yl]methanamine
SMILESCC1=C(CN)C=CC(OCC(F)F)C1
InChIInChI=1S/C10H15F2NO/c1-7-4-9(14-6-10(11)12)3-2-8(7)5-13/h2-3,9-10H,4-6,13H2,1H3
InChIKeyDUTREYXEVCAZBA-UHFFFAOYSA-N
XLogP1.87
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.23
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(2,2-difluoroethoxy)-2-methylcyclohexa-1,5-dien-1-yl]methanamine?
The IUPAC name of [4-(2,2-difluoroethoxy)-2-methylcyclohexa-1,5-dien-1-yl]methanamine (CID 87688749) is [4-(2,2-difluoroethoxy)-2-methylcyclohexa-1,5-dien-1-yl]methanamine.
What is the SMILES notation for [4-(2,2-difluoroethoxy)-2-methylcyclohexa-1,5-dien-1-yl]methanamine?
The canonical SMILES for [4-(2,2-difluoroethoxy)-2-methylcyclohexa-1,5-dien-1-yl]methanamine is CC1=C(CN)C=CC(OCC(F)F)C1.
What is the InChIKey of [4-(2,2-difluoroethoxy)-2-methylcyclohexa-1,5-dien-1-yl]methanamine?
The InChIKey is DUTREYXEVCAZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2NO/c1-7-4-9(14-6-10(11)12)3-2-8(7)5-13/h2-3,9-10H,4-6,13H2,1H3.
What are the key properties of [4-(2,2-difluoroethoxy)-2-methylcyclohexa-1,5-dien-1-yl]methanamine?
[4-(2,2-difluoroethoxy)-2-methylcyclohexa-1,5-dien-1-yl]methanamine has a molecular weight of 203.23 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,2-difluoroethoxy)-2-methylcyclohexa-1,5-dien-1-yl]methanamine is sourced from PubChem (CID 87688749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).