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

C6H8FN — CID 91605893

IUPAC3-fluorocyclohexa-2,4-dien-1-amine
SMILESNC1C=C(F)C=CC1
InChIInChI=1S/C6H8FN/c7-5-2-1-3-6(8)4-5/h1-2,4,6H,3,8H2
InChIKeyVOVMKFRNBTVESS-UHFFFAOYSA-N
MW113.13 g/mol
LogP1.13
Rot. Bonds

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

3-fluorocyclohexa-2,4-dien-1-amine (PubChem CID 91605893) has the molecular formula C6H8FN and a molecular weight of 113.13 g/mol. Its IUPAC name is 3-fluorocyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name3-fluorocyclohexa-2,4-dien-1-amine
PubChem CID91605893
Molecular FormulaC6H8FN
Molecular Weight113.13 g/mol
Exact Mass113.06
IUPAC Name3-fluorocyclohexa-2,4-dien-1-amine
SMILESNC1C=C(F)C=CC1
InChIInChI=1S/C6H8FN/c7-5-2-1-3-6(8)4-5/h1-2,4,6H,3,8H2
InChIKeyVOVMKFRNBTVESS-UHFFFAOYSA-N
XLogP1.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.13
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluorocyclohexa-2,4-dien-1-amine?
The IUPAC name of 3-fluorocyclohexa-2,4-dien-1-amine (CID 91605893) is 3-fluorocyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 3-fluorocyclohexa-2,4-dien-1-amine?
The canonical SMILES for 3-fluorocyclohexa-2,4-dien-1-amine is NC1C=C(F)C=CC1.
What is the InChIKey of 3-fluorocyclohexa-2,4-dien-1-amine?
The InChIKey is VOVMKFRNBTVESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FN/c7-5-2-1-3-6(8)4-5/h1-2,4,6H,3,8H2.
What are the key properties of 3-fluorocyclohexa-2,4-dien-1-amine?
3-fluorocyclohexa-2,4-dien-1-amine has a molecular weight of 113.13 g/mol, XLogP of 1.13, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluorocyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 91605893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).