2,4-difluorocyclohexa-1,3-dien-1-amine

C6H7F2N — CID 89073840

IUPAC2,4-difluorocyclohexa-1,3-dien-1-amine
SMILESNC1=C(F)C=C(F)CC1
InChIInChI=1S/C6H7F2N/c7-4-1-2-6(9)5(8)3-4/h3H,1-2,9H2
InChIKeyMLEQFNLBHQUIOG-UHFFFAOYSA-N
MW131.12 g/mol
LogP1.77
Rot. Bonds

About 2,4-difluorocyclohexa-1,3-dien-1-amine

2,4-difluorocyclohexa-1,3-dien-1-amine (PubChem CID 89073840) has the molecular formula C6H7F2N and a molecular weight of 131.12 g/mol. Its IUPAC name is 2,4-difluorocyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name2,4-difluorocyclohexa-1,3-dien-1-amine
PubChem CID89073840
Molecular FormulaC6H7F2N
Molecular Weight131.12 g/mol
Exact Mass131.05
IUPAC Name2,4-difluorocyclohexa-1,3-dien-1-amine
SMILESNC1=C(F)C=C(F)CC1
InChIInChI=1S/C6H7F2N/c7-4-1-2-6(9)5(8)3-4/h3H,1-2,9H2
InChIKeyMLEQFNLBHQUIOG-UHFFFAOYSA-N
XLogP1.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.12
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluorocyclohexa-1,3-dien-1-amine?
The IUPAC name of 2,4-difluorocyclohexa-1,3-dien-1-amine (CID 89073840) is 2,4-difluorocyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 2,4-difluorocyclohexa-1,3-dien-1-amine?
The canonical SMILES for 2,4-difluorocyclohexa-1,3-dien-1-amine is NC1=C(F)C=C(F)CC1.
What is the InChIKey of 2,4-difluorocyclohexa-1,3-dien-1-amine?
The InChIKey is MLEQFNLBHQUIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2N/c7-4-1-2-6(9)5(8)3-4/h3H,1-2,9H2.
What are the key properties of 2,4-difluorocyclohexa-1,3-dien-1-amine?
2,4-difluorocyclohexa-1,3-dien-1-amine has a molecular weight of 131.12 g/mol, XLogP of 1.77, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluorocyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 89073840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).