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

C6H8FN — CID 23505185

IUPAC6-fluorocyclohexa-2,4-dien-1-amine
SMILESNC1C=CC=CC1F
InChIInChI=1S/C6H8FN/c7-5-3-1-2-4-6(5)8/h1-6H,8H2
InChIKeyZDSLHHAGJFLTNR-UHFFFAOYSA-N
MW113.13 g/mol
LogP0.78
Rot. Bonds

About 6-fluorocyclohexa-2,4-dien-1-amine

6-fluorocyclohexa-2,4-dien-1-amine (PubChem CID 23505185) has the molecular formula C6H8FN and a molecular weight of 113.13 g/mol. Its IUPAC name is 6-fluorocyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name6-fluorocyclohexa-2,4-dien-1-amine
PubChem CID23505185
Molecular FormulaC6H8FN
Molecular Weight113.13 g/mol
Exact Mass113.06
IUPAC Name6-fluorocyclohexa-2,4-dien-1-amine
SMILESNC1C=CC=CC1F
InChIInChI=1S/C6H8FN/c7-5-3-1-2-4-6(5)8/h1-6H,8H2
InChIKeyZDSLHHAGJFLTNR-UHFFFAOYSA-N
XLogP0.78
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 ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

alpha-(Fluoromethyl)dehydroputrescine
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1H-Anilin
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2-Methyleneaniline
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Dihydrotoluidin
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1-Cyclohexa-1,5-dien-1-ylethanamine
CID 91106318
CID 133803
CID 133803
(E)-1-fluorohept-3-ene-2,5-diamine
CID 20466279
(3E)-1-fluoro-3-penten-2-amine
CID 20466291
(E)-6-fluorohex-2-ene-1,4-diamine
CID 20466303
2-Fluoro-2-methylaniline
CID 22273309
5,6-Difluorocyclohexa-2,4-dien-1-amine
CID 23505194

Frequently Asked Questions

What is the IUPAC name of 6-fluorocyclohexa-2,4-dien-1-amine?
The IUPAC name of 6-fluorocyclohexa-2,4-dien-1-amine (CID 23505185) is 6-fluorocyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 6-fluorocyclohexa-2,4-dien-1-amine?
The canonical SMILES for 6-fluorocyclohexa-2,4-dien-1-amine is NC1C=CC=CC1F.
What is the InChIKey of 6-fluorocyclohexa-2,4-dien-1-amine?
The InChIKey is ZDSLHHAGJFLTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FN/c7-5-3-1-2-4-6(5)8/h1-6H,8H2.
What are the key properties of 6-fluorocyclohexa-2,4-dien-1-amine?
6-fluorocyclohexa-2,4-dien-1-amine has a molecular weight of 113.13 g/mol, XLogP of 0.78, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluorocyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 23505185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).