6-(4-fluoropent-2-enylidene)-N,N-dimethylcyclohexa-1,3-dien-1-amine

C13H18FN — CID 123629047

IUPAC6-(4-fluoropent-2-enylidene)-N,N-dimethylcyclohexa-1,3-dien-1-amine
SMILESCC(F)C=CC=C1CC=CC=C1N(C)C
InChIInChI=1S/C13H18FN/c1-11(14)7-6-9-12-8-4-5-10-13(12)15(2)3/h4-7,9-11H,8H2,1-3H3
InChIKeyULODZDKVICVGSP-UHFFFAOYSA-N
MW207.29 g/mol
LogP3.23
Rot. Bonds3

About 6-(4-fluoropent-2-enylidene)-N,N-dimethylcyclohexa-1,3-dien-1-amine

6-(4-fluoropent-2-enylidene)-N,N-dimethylcyclohexa-1,3-dien-1-amine (PubChem CID 123629047) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is 6-(4-fluoropent-2-enylidene)-N,N-dimethylcyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name6-(4-fluoropent-2-enylidene)-N,N-dimethylcyclohexa-1,3-dien-1-amine
PubChem CID123629047
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name6-(4-fluoropent-2-enylidene)-N,N-dimethylcyclohexa-1,3-dien-1-amine
SMILESCC(F)C=CC=C1CC=CC=C1N(C)C
InChIInChI=1S/C13H18FN/c1-11(14)7-6-9-12-8-4-5-10-13(12)15(2)3/h4-7,9-11H,8H2,1-3H3
InChIKeyULODZDKVICVGSP-UHFFFAOYSA-N
XLogP3.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluoropent-2-enylidene)-N,N-dimethylcyclohexa-1,3-dien-1-amine?
The IUPAC name of 6-(4-fluoropent-2-enylidene)-N,N-dimethylcyclohexa-1,3-dien-1-amine (CID 123629047) is 6-(4-fluoropent-2-enylidene)-N,N-dimethylcyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 6-(4-fluoropent-2-enylidene)-N,N-dimethylcyclohexa-1,3-dien-1-amine?
The canonical SMILES for 6-(4-fluoropent-2-enylidene)-N,N-dimethylcyclohexa-1,3-dien-1-amine is CC(F)C=CC=C1CC=CC=C1N(C)C.
What is the InChIKey of 6-(4-fluoropent-2-enylidene)-N,N-dimethylcyclohexa-1,3-dien-1-amine?
The InChIKey is ULODZDKVICVGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c1-11(14)7-6-9-12-8-4-5-10-13(12)15(2)3/h4-7,9-11H,8H2,1-3H3.
What are the key properties of 6-(4-fluoropent-2-enylidene)-N,N-dimethylcyclohexa-1,3-dien-1-amine?
6-(4-fluoropent-2-enylidene)-N,N-dimethylcyclohexa-1,3-dien-1-amine has a molecular weight of 207.29 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluoropent-2-enylidene)-N,N-dimethylcyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 123629047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).