N,N-diethyl-4-fluorocyclohexa-1,5-dien-1-amine

C10H16FN — CID 126629579

IUPACN,N-diethyl-4-fluorocyclohexa-1,5-dien-1-amine
SMILESCCN(CC)C1=CCC(F)C=C1
InChIInChI=1S/C10H16FN/c1-3-12(4-2)10-7-5-9(11)6-8-10/h5,7-9H,3-4,6H2,1-2H3
InChIKeyMQNCJUTWLWHDJV-UHFFFAOYSA-N
MW169.24 g/mol
LogP2.51
Rot. Bonds3

About N,N-diethyl-4-fluorocyclohexa-1,5-dien-1-amine

N,N-diethyl-4-fluorocyclohexa-1,5-dien-1-amine (PubChem CID 126629579) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is N,N-diethyl-4-fluorocyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound NameN,N-diethyl-4-fluorocyclohexa-1,5-dien-1-amine
PubChem CID126629579
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC NameN,N-diethyl-4-fluorocyclohexa-1,5-dien-1-amine
SMILESCCN(CC)C1=CCC(F)C=C1
InChIInChI=1S/C10H16FN/c1-3-12(4-2)10-7-5-9(11)6-8-10/h5,7-9H,3-4,6H2,1-2H3
InChIKeyMQNCJUTWLWHDJV-UHFFFAOYSA-N
XLogP2.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-fluorocyclohexa-1,5-dien-1-amine?
The IUPAC name of N,N-diethyl-4-fluorocyclohexa-1,5-dien-1-amine (CID 126629579) is N,N-diethyl-4-fluorocyclohexa-1,5-dien-1-amine.
What is the SMILES notation for N,N-diethyl-4-fluorocyclohexa-1,5-dien-1-amine?
The canonical SMILES for N,N-diethyl-4-fluorocyclohexa-1,5-dien-1-amine is CCN(CC)C1=CCC(F)C=C1.
What is the InChIKey of N,N-diethyl-4-fluorocyclohexa-1,5-dien-1-amine?
The InChIKey is MQNCJUTWLWHDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN/c1-3-12(4-2)10-7-5-9(11)6-8-10/h5,7-9H,3-4,6H2,1-2H3.
What are the key properties of N,N-diethyl-4-fluorocyclohexa-1,5-dien-1-amine?
N,N-diethyl-4-fluorocyclohexa-1,5-dien-1-amine has a molecular weight of 169.24 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-fluorocyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 126629579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).