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

C6H8FN — CID 89165873

IUPAC2-fluorocyclohexa-1,3-dien-1-amine
SMILESNC1=C(F)C=CCC1
InChIInChI=1S/C6H8FN/c7-5-3-1-2-4-6(5)8/h1,3H,2,4,8H2
InChIKeyQQVPBGRENSFICW-UHFFFAOYSA-N
MW113.13 g/mol
LogP1.48
Rot. Bonds

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

2-fluorocyclohexa-1,3-dien-1-amine (PubChem CID 89165873) has the molecular formula C6H8FN and a molecular weight of 113.13 g/mol. Its IUPAC name is 2-fluorocyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name2-fluorocyclohexa-1,3-dien-1-amine
PubChem CID89165873
Molecular FormulaC6H8FN
Molecular Weight113.13 g/mol
Exact Mass113.06
IUPAC Name2-fluorocyclohexa-1,3-dien-1-amine
SMILESNC1=C(F)C=CCC1
InChIInChI=1S/C6H8FN/c7-5-3-1-2-4-6(5)8/h1,3H,2,4,8H2
InChIKeyQQVPBGRENSFICW-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3h-Aniline
CID 17877848
Diaminocyclo-hexadiene
CID 17944482
1,5-Cyclohexadienylamine
CID 20196055
2-Iodocyclohexa-1,3-dien-1-amine
CID 129065534
4-(Fluoromethyl)cyclohexa-1,3-dien-1-amine
CID 57861961
1,2-Difluorocyclohexa-3,5-diene-1,3-diamine
CID 67057870
5-(Trifluoromethyl)cyclohexa-1,3-dien-1-amine
CID 67518760
4-Fluorocyclohexa-1,3-dien-1-amine
CID 68030455
5-Fluoro-2-methylcyclohexa-1,3-dien-1-amine
CID 68244865
4-Fluorocyclohexa-1,5-dien-1-amine
CID 68342081
5-Fluorocyclohexa-1,5-dien-1-amine
CID 68342260
1-Fluorocyclohexa-2,4-dien-1-amine
CID 68621009

Frequently Asked Questions

What is the IUPAC name of 2-fluorocyclohexa-1,3-dien-1-amine?
The IUPAC name of 2-fluorocyclohexa-1,3-dien-1-amine (CID 89165873) is 2-fluorocyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 2-fluorocyclohexa-1,3-dien-1-amine?
The canonical SMILES for 2-fluorocyclohexa-1,3-dien-1-amine is NC1=C(F)C=CCC1.
What is the InChIKey of 2-fluorocyclohexa-1,3-dien-1-amine?
The InChIKey is QQVPBGRENSFICW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FN/c7-5-3-1-2-4-6(5)8/h1,3H,2,4,8H2.
What are the key properties of 2-fluorocyclohexa-1,3-dien-1-amine?
2-fluorocyclohexa-1,3-dien-1-amine has a molecular weight of 113.13 g/mol, XLogP of 1.48, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluorocyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 89165873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).