4-fluoro-5-methylcyclohexa-3,5-diene-1,2-diamine

C7H11FN2 — CID 89120910

IUPAC4-fluoro-5-methylcyclohexa-3,5-diene-1,2-diamine
SMILESCC1=CC(N)C(N)C=C1F
InChIInChI=1S/C7H11FN2/c1-4-2-6(9)7(10)3-5(4)8/h2-3,6-7H,9-10H2,1H3
InChIKeyNVVBPISXALONBI-UHFFFAOYSA-N
MW142.18 g/mol
LogP0.45
Rot. Bonds

About 4-fluoro-5-methylcyclohexa-3,5-diene-1,2-diamine

4-fluoro-5-methylcyclohexa-3,5-diene-1,2-diamine (PubChem CID 89120910) has the molecular formula C7H11FN2 and a molecular weight of 142.18 g/mol. Its IUPAC name is 4-fluoro-5-methylcyclohexa-3,5-diene-1,2-diamine.

Molecular Properties

Compound Name4-fluoro-5-methylcyclohexa-3,5-diene-1,2-diamine
PubChem CID89120910
Molecular FormulaC7H11FN2
Molecular Weight142.18 g/mol
Exact Mass142.09
IUPAC Name4-fluoro-5-methylcyclohexa-3,5-diene-1,2-diamine
SMILESCC1=CC(N)C(N)C=C1F
InChIInChI=1S/C7H11FN2/c1-4-2-6(9)7(10)3-5(4)8/h2-3,6-7H,9-10H2,1H3
InChIKeyNVVBPISXALONBI-UHFFFAOYSA-N
XLogP0.45
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-methylcyclohexa-3,5-diene-1,2-diamine?
The IUPAC name of 4-fluoro-5-methylcyclohexa-3,5-diene-1,2-diamine (CID 89120910) is 4-fluoro-5-methylcyclohexa-3,5-diene-1,2-diamine.
What is the SMILES notation for 4-fluoro-5-methylcyclohexa-3,5-diene-1,2-diamine?
The canonical SMILES for 4-fluoro-5-methylcyclohexa-3,5-diene-1,2-diamine is CC1=CC(N)C(N)C=C1F.
What is the InChIKey of 4-fluoro-5-methylcyclohexa-3,5-diene-1,2-diamine?
The InChIKey is NVVBPISXALONBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FN2/c1-4-2-6(9)7(10)3-5(4)8/h2-3,6-7H,9-10H2,1H3.
What are the key properties of 4-fluoro-5-methylcyclohexa-3,5-diene-1,2-diamine?
4-fluoro-5-methylcyclohexa-3,5-diene-1,2-diamine has a molecular weight of 142.18 g/mol, XLogP of 0.45, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-methylcyclohexa-3,5-diene-1,2-diamine is sourced from PubChem (CID 89120910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).