1,2-difluorocyclohexa-3,5-diene-1,3-diamine

C6H8F2N2 — CID 67057870

IUPAC1,2-difluorocyclohexa-3,5-diene-1,3-diamine
SMILESNC1=CC=CC(N)(F)C1F
InChIInChI=1S/C6H8F2N2/c7-5-4(9)2-1-3-6(5,8)10/h1-3,5H,9-10H2
InChIKeyRUFPHRTXOJSTIS-UHFFFAOYSA-N
MW146.14 g/mol
LogP0.36
Rot. Bonds

About 1,2-difluorocyclohexa-3,5-diene-1,3-diamine

1,2-difluorocyclohexa-3,5-diene-1,3-diamine (PubChem CID 67057870) has the molecular formula C6H8F2N2 and a molecular weight of 146.14 g/mol. Its IUPAC name is 1,2-difluorocyclohexa-3,5-diene-1,3-diamine.

Molecular Properties

Compound Name1,2-difluorocyclohexa-3,5-diene-1,3-diamine
PubChem CID67057870
Molecular FormulaC6H8F2N2
Molecular Weight146.14 g/mol
Exact Mass146.07
IUPAC Name1,2-difluorocyclohexa-3,5-diene-1,3-diamine
SMILESNC1=CC=CC(N)(F)C1F
InChIInChI=1S/C6H8F2N2/c7-5-4(9)2-1-3-6(5,8)10/h1-3,5H,9-10H2
InChIKeyRUFPHRTXOJSTIS-UHFFFAOYSA-N
XLogP0.36
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Chloro-5-fluoro-1,3-phenylenediamine
CID 129738455
3h-Aniline
CID 17877848
Diaminocyclo-hexadiene
CID 17944482
1,5-Cyclohexadienylamine
CID 20196055
4-Amino-paraphenylenediamine
CID 67421268
4-(Trifluoromethyl)cyclohexa-1,5-diene-1,4-diamine
CID 67649794
4-Fluorocyclohexa-1,3-dien-1-amine
CID 68030455
4,5-Difluorocyclohexa-1,5-dien-1-amine
CID 68322278
4-Fluorocyclohexa-1,5-dien-1-amine
CID 68342081
5-Fluorocyclohexa-1,5-dien-1-amine
CID 68342260
3,5-Difluorocyclohexa-1,5-dien-1-amine
CID 70309077
5-Fluorocyclohexa-1,3-dien-1-amine
CID 70328409

Frequently Asked Questions

What is the IUPAC name of 1,2-difluorocyclohexa-3,5-diene-1,3-diamine?
The IUPAC name of 1,2-difluorocyclohexa-3,5-diene-1,3-diamine (CID 67057870) is 1,2-difluorocyclohexa-3,5-diene-1,3-diamine.
What is the SMILES notation for 1,2-difluorocyclohexa-3,5-diene-1,3-diamine?
The canonical SMILES for 1,2-difluorocyclohexa-3,5-diene-1,3-diamine is NC1=CC=CC(N)(F)C1F.
What is the InChIKey of 1,2-difluorocyclohexa-3,5-diene-1,3-diamine?
The InChIKey is RUFPHRTXOJSTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N2/c7-5-4(9)2-1-3-6(5,8)10/h1-3,5H,9-10H2.
What are the key properties of 1,2-difluorocyclohexa-3,5-diene-1,3-diamine?
1,2-difluorocyclohexa-3,5-diene-1,3-diamine has a molecular weight of 146.14 g/mol, XLogP of 0.36, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluorocyclohexa-3,5-diene-1,3-diamine is sourced from PubChem (CID 67057870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).