N-ethyl-3-fluorocyclohexa-1,3-dien-1-amine

C8H12FN — CID 70333081

IUPACN-ethyl-3-fluorocyclohexa-1,3-dien-1-amine
SMILESCCNC1=CC(F)=CCC1
InChIInChI=1S/C8H12FN/c1-2-10-8-5-3-4-7(9)6-8/h4,6,10H,2-3,5H2,1H3
InChIKeyWSILLMGILQDSNE-UHFFFAOYSA-N
MW141.19 g/mol
LogP2.13
Rot. Bonds2

About N-ethyl-3-fluorocyclohexa-1,3-dien-1-amine

N-ethyl-3-fluorocyclohexa-1,3-dien-1-amine (PubChem CID 70333081) has the molecular formula C8H12FN and a molecular weight of 141.19 g/mol. Its IUPAC name is N-ethyl-3-fluorocyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound NameN-ethyl-3-fluorocyclohexa-1,3-dien-1-amine
PubChem CID70333081
Molecular FormulaC8H12FN
Molecular Weight141.19 g/mol
Exact Mass141.10
IUPAC NameN-ethyl-3-fluorocyclohexa-1,3-dien-1-amine
SMILESCCNC1=CC(F)=CCC1
InChIInChI=1S/C8H12FN/c1-2-10-8-5-3-4-7(9)6-8/h4,6,10H,2-3,5H2,1H3
InChIKeyWSILLMGILQDSNE-UHFFFAOYSA-N
XLogP2.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-fluorocyclohexa-1,3-dien-1-amine?
The IUPAC name of N-ethyl-3-fluorocyclohexa-1,3-dien-1-amine (CID 70333081) is N-ethyl-3-fluorocyclohexa-1,3-dien-1-amine.
What is the SMILES notation for N-ethyl-3-fluorocyclohexa-1,3-dien-1-amine?
The canonical SMILES for N-ethyl-3-fluorocyclohexa-1,3-dien-1-amine is CCNC1=CC(F)=CCC1.
What is the InChIKey of N-ethyl-3-fluorocyclohexa-1,3-dien-1-amine?
The InChIKey is WSILLMGILQDSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN/c1-2-10-8-5-3-4-7(9)6-8/h4,6,10H,2-3,5H2,1H3.
What are the key properties of N-ethyl-3-fluorocyclohexa-1,3-dien-1-amine?
N-ethyl-3-fluorocyclohexa-1,3-dien-1-amine has a molecular weight of 141.19 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-fluorocyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 70333081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).