[4-(difluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine

C8H11F2NO — CID 162604665

IUPAC[4-(difluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine
SMILESNCC1=CC=C(OC(F)F)CC1
InChIInChI=1S/C8H11F2NO/c9-8(10)12-7-3-1-6(5-11)2-4-7/h1,3,8H,2,4-5,11H2
InChIKeyUJPQZQUNONIVGV-UHFFFAOYSA-N
MW175.18 g/mol
LogP1.79
Rot. Bonds3

About [4-(difluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine

[4-(difluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine (PubChem CID 162604665) has the molecular formula C8H11F2NO and a molecular weight of 175.18 g/mol. Its IUPAC name is [4-(difluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine.

Molecular Properties

Compound Name[4-(difluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine
PubChem CID162604665
Molecular FormulaC8H11F2NO
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name[4-(difluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine
SMILESNCC1=CC=C(OC(F)F)CC1
InChIInChI=1S/C8H11F2NO/c9-8(10)12-7-3-1-6(5-11)2-4-7/h1,3,8H,2,4-5,11H2
InChIKeyUJPQZQUNONIVGV-UHFFFAOYSA-N
XLogP1.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine?
The IUPAC name of [4-(difluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine (CID 162604665) is [4-(difluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine.
What is the SMILES notation for [4-(difluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine?
The canonical SMILES for [4-(difluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine is NCC1=CC=C(OC(F)F)CC1.
What is the InChIKey of [4-(difluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine?
The InChIKey is UJPQZQUNONIVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2NO/c9-8(10)12-7-3-1-6(5-11)2-4-7/h1,3,8H,2,4-5,11H2.
What are the key properties of [4-(difluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine?
[4-(difluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine has a molecular weight of 175.18 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethoxy)cyclohexa-1,3-dien-1-yl]methanamine is sourced from PubChem (CID 162604665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).