[(1R)-5-fluoro-2-bicyclo[4.1.0]hepta-2,4,6-trienyl]methanamine

C8H8FN — CID 155573791

IUPAC[(1R)-5-fluoro-2-bicyclo[4.1.0]hepta-2,4,6-trienyl]methanamine
SMILESNCC1=CC=C(F)C2=C[C@H]12
InChIInChI=1S/C8H8FN/c9-8-2-1-5(4-10)6-3-7(6)8/h1-3,6H,4,10H2/t6-/m1/s1
InChIKeyUDKKEFOBLIOWNM-ZCFIWIBFSA-N
MW137.16 g/mol
LogP1.29
Rot. Bonds1

About [(1R)-5-fluoro-2-bicyclo[4.1.0]hepta-2,4,6-trienyl]methanamine

[(1R)-5-fluoro-2-bicyclo[4.1.0]hepta-2,4,6-trienyl]methanamine (PubChem CID 155573791) has the molecular formula C8H8FN and a molecular weight of 137.16 g/mol. Its IUPAC name is [(1R)-5-fluoro-2-bicyclo[4.1.0]hepta-2,4,6-trienyl]methanamine.

Molecular Properties

Compound Name[(1R)-5-fluoro-2-bicyclo[4.1.0]hepta-2,4,6-trienyl]methanamine
PubChem CID155573791
Molecular FormulaC8H8FN
Molecular Weight137.16 g/mol
Exact Mass137.06
IUPAC Name[(1R)-5-fluoro-2-bicyclo[4.1.0]hepta-2,4,6-trienyl]methanamine
SMILESNCC1=CC=C(F)C2=C[C@H]12
InChIInChI=1S/C8H8FN/c9-8-2-1-5(4-10)6-3-7(6)8/h1-3,6H,4,10H2/t6-/m1/s1
InChIKeyUDKKEFOBLIOWNM-ZCFIWIBFSA-N
XLogP1.29
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.16
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-Fluorocyclohexa-1,3-dien-1-yl)methanamine
CID 89270438
(4-Fluoro-5-methylcyclohexa-1,3-dien-1-yl)methanamine
CID 91394689
[(6E)-3-fluoro-4-methyl-2-propan-2-yl-6-propylidenecyclohexa-1,3-dien-1-yl]methanamine
CID 129108563
(3-Fluorocyclohexa-1,3-dien-1-yl)methanamine
CID 129171320
[(6S)-6-fluoro-5-methylcyclohexa-1,3-dien-1-yl]methanamine
CID 139317184
[4-Methyl-6-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanamine
CID 142478074
(3,5-Difluoro-5-methylcyclohexa-1,3-dien-1-yl)methanamine
CID 142775544
[5-(Trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanamine
CID 142837073
(Z)-3-fluoro-2-[(5-methylcyclohepta-1,3,6-trien-1-yl)methyl]prop-2-en-1-amine
CID 143797765
[2,6-Dimethyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methanamine
CID 144367168
(3S)-3-(2-fluorocyclohexa-1,5-dien-1-yl)butan-1-amine
CID 144436494
(2-Fluoro-3-methylcyclohexa-1,3-dien-1-yl)methanamine
CID 144912486

Frequently Asked Questions

What is the IUPAC name of [(1R)-5-fluoro-2-bicyclo[4.1.0]hepta-2,4,6-trienyl]methanamine?
The IUPAC name of [(1R)-5-fluoro-2-bicyclo[4.1.0]hepta-2,4,6-trienyl]methanamine (CID 155573791) is [(1R)-5-fluoro-2-bicyclo[4.1.0]hepta-2,4,6-trienyl]methanamine.
What is the SMILES notation for [(1R)-5-fluoro-2-bicyclo[4.1.0]hepta-2,4,6-trienyl]methanamine?
The canonical SMILES for [(1R)-5-fluoro-2-bicyclo[4.1.0]hepta-2,4,6-trienyl]methanamine is NCC1=CC=C(F)C2=C[C@H]12.
What is the InChIKey of [(1R)-5-fluoro-2-bicyclo[4.1.0]hepta-2,4,6-trienyl]methanamine?
The InChIKey is UDKKEFOBLIOWNM-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H8FN/c9-8-2-1-5(4-10)6-3-7(6)8/h1-3,6H,4,10H2/t6-/m1/s1.
What are the key properties of [(1R)-5-fluoro-2-bicyclo[4.1.0]hepta-2,4,6-trienyl]methanamine?
[(1R)-5-fluoro-2-bicyclo[4.1.0]hepta-2,4,6-trienyl]methanamine has a molecular weight of 137.16 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-5-fluoro-2-bicyclo[4.1.0]hepta-2,4,6-trienyl]methanamine is sourced from PubChem (CID 155573791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).