1-[(5R)-2-fluoro-5-methylcyclohexa-1,3-dien-1-yl]ethanamine

C9H14FN — CID 89318381

IUPAC1-[(5R)-2-fluoro-5-methylcyclohexa-1,3-dien-1-yl]ethanamine
SMILESCC(N)C1=C(F)C=C[C@H](C)C1
InChIInChI=1S/C9H14FN/c1-6-3-4-9(10)8(5-6)7(2)11/h3-4,6-7H,5,11H2,1-2H3/t6-,7?/m0/s1
InChIKeyMQBFEYOHUHLVTG-PKPIPKONSA-N
MW155.22 g/mol
LogP2.15
Rot. Bonds1

About 1-[(5R)-2-fluoro-5-methylcyclohexa-1,3-dien-1-yl]ethanamine

1-[(5R)-2-fluoro-5-methylcyclohexa-1,3-dien-1-yl]ethanamine (PubChem CID 89318381) has the molecular formula C9H14FN and a molecular weight of 155.22 g/mol. Its IUPAC name is 1-[(5R)-2-fluoro-5-methylcyclohexa-1,3-dien-1-yl]ethanamine.

Molecular Properties

Compound Name1-[(5R)-2-fluoro-5-methylcyclohexa-1,3-dien-1-yl]ethanamine
PubChem CID89318381
Molecular FormulaC9H14FN
Molecular Weight155.22 g/mol
Exact Mass155.11
IUPAC Name1-[(5R)-2-fluoro-5-methylcyclohexa-1,3-dien-1-yl]ethanamine
SMILESCC(N)C1=C(F)C=C[C@H](C)C1
InChIInChI=1S/C9H14FN/c1-6-3-4-9(10)8(5-6)7(2)11/h3-4,6-7H,5,11H2,1-2H3/t6-,7?/m0/s1
InChIKeyMQBFEYOHUHLVTG-PKPIPKONSA-N
XLogP2.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(5R)-2-fluoro-5-methylcyclohexa-1,3-dien-1-yl]ethanamine?
The IUPAC name of 1-[(5R)-2-fluoro-5-methylcyclohexa-1,3-dien-1-yl]ethanamine (CID 89318381) is 1-[(5R)-2-fluoro-5-methylcyclohexa-1,3-dien-1-yl]ethanamine.
What is the SMILES notation for 1-[(5R)-2-fluoro-5-methylcyclohexa-1,3-dien-1-yl]ethanamine?
The canonical SMILES for 1-[(5R)-2-fluoro-5-methylcyclohexa-1,3-dien-1-yl]ethanamine is CC(N)C1=C(F)C=C[C@H](C)C1.
What is the InChIKey of 1-[(5R)-2-fluoro-5-methylcyclohexa-1,3-dien-1-yl]ethanamine?
The InChIKey is MQBFEYOHUHLVTG-PKPIPKONSA-N. The full InChI is InChI=1S/C9H14FN/c1-6-3-4-9(10)8(5-6)7(2)11/h3-4,6-7H,5,11H2,1-2H3/t6-,7?/m0/s1.
What are the key properties of 1-[(5R)-2-fluoro-5-methylcyclohexa-1,3-dien-1-yl]ethanamine?
1-[(5R)-2-fluoro-5-methylcyclohexa-1,3-dien-1-yl]ethanamine has a molecular weight of 155.22 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5R)-2-fluoro-5-methylcyclohexa-1,3-dien-1-yl]ethanamine is sourced from PubChem (CID 89318381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).