ethane;2-(4-fluorocyclohexa-1,3-dien-1-yl)ethanamine

C12H24FN — CID 143299864

IUPACethane;2-(4-fluorocyclohexa-1,3-dien-1-yl)ethanamine
SMILESCC.CC.NCCC1=CC=C(F)CC1
InChIInChI=1S/C8H12FN.2C2H6/c9-8-3-1-7(2-4-8)5-6-10;2*1-2/h1,3H,2,4-6,10H2;2*1-2H3
InChIKeyRXYNHSGEJNDYGF-UHFFFAOYSA-N
MW201.33 g/mol
LogP3.96
Rot. Bonds2

About ethane;2-(4-fluorocyclohexa-1,3-dien-1-yl)ethanamine

ethane;2-(4-fluorocyclohexa-1,3-dien-1-yl)ethanamine (PubChem CID 143299864) has the molecular formula C12H24FN and a molecular weight of 201.33 g/mol. Its IUPAC name is ethane;2-(4-fluorocyclohexa-1,3-dien-1-yl)ethanamine.

Molecular Properties

Compound Nameethane;2-(4-fluorocyclohexa-1,3-dien-1-yl)ethanamine
PubChem CID143299864
Molecular FormulaC12H24FN
Molecular Weight201.33 g/mol
Exact Mass201.19
IUPAC Nameethane;2-(4-fluorocyclohexa-1,3-dien-1-yl)ethanamine
SMILESCC.CC.NCCC1=CC=C(F)CC1
InChIInChI=1S/C8H12FN.2C2H6/c9-8-3-1-7(2-4-8)5-6-10;2*1-2/h1,3H,2,4-6,10H2;2*1-2H3
InChIKeyRXYNHSGEJNDYGF-UHFFFAOYSA-N
XLogP3.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;2-(4-fluorocyclohexa-1,3-dien-1-yl)ethanamine?
The IUPAC name of ethane;2-(4-fluorocyclohexa-1,3-dien-1-yl)ethanamine (CID 143299864) is ethane;2-(4-fluorocyclohexa-1,3-dien-1-yl)ethanamine.
What is the SMILES notation for ethane;2-(4-fluorocyclohexa-1,3-dien-1-yl)ethanamine?
The canonical SMILES for ethane;2-(4-fluorocyclohexa-1,3-dien-1-yl)ethanamine is CC.CC.NCCC1=CC=C(F)CC1.
What is the InChIKey of ethane;2-(4-fluorocyclohexa-1,3-dien-1-yl)ethanamine?
The InChIKey is RXYNHSGEJNDYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN.2C2H6/c9-8-3-1-7(2-4-8)5-6-10;2*1-2/h1,3H,2,4-6,10H2;2*1-2H3.
What are the key properties of ethane;2-(4-fluorocyclohexa-1,3-dien-1-yl)ethanamine?
ethane;2-(4-fluorocyclohexa-1,3-dien-1-yl)ethanamine has a molecular weight of 201.33 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(4-fluorocyclohexa-1,3-dien-1-yl)ethanamine is sourced from PubChem (CID 143299864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).