1,4-difluorobenzene;heptan-1-amine

C13H21F2N — CID 143706023

IUPAC1,4-difluorobenzene;heptan-1-amine
SMILESCCCCCCCN.Fc1ccc(F)cc1
InChIInChI=1S/C7H17N.C6H4F2/c1-2-3-4-5-6-7-8;7-5-1-2-6(8)4-3-5/h2-8H2,1H3;1-4H
InChIKeyAYBZMHIHYOKSAH-UHFFFAOYSA-N
MW229.31 g/mol
LogP3.88
Rot. Bonds5

About 1,4-difluorobenzene;heptan-1-amine

1,4-difluorobenzene;heptan-1-amine (PubChem CID 143706023) has the molecular formula C13H21F2N and a molecular weight of 229.31 g/mol. Its IUPAC name is 1,4-difluorobenzene;heptan-1-amine.

Molecular Properties

Compound Name1,4-difluorobenzene;heptan-1-amine
PubChem CID143706023
Molecular FormulaC13H21F2N
Molecular Weight229.31 g/mol
Exact Mass229.16
IUPAC Name1,4-difluorobenzene;heptan-1-amine
SMILESCCCCCCCN.Fc1ccc(F)cc1
InChIInChI=1S/C7H17N.C6H4F2/c1-2-3-4-5-6-7-8;7-5-1-2-6(8)4-3-5/h2-8H2,1H3;1-4H
InChIKeyAYBZMHIHYOKSAH-UHFFFAOYSA-N
XLogP3.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(4-fluorophenyl)-N'-hexylpropane-1,3-diamine
CID 43136281
decan-1-amine;hexan-1-amine
CID 162216125
hexacosan-1-amine
CID 14550481
butane-1,4-diamine;hexan-1-amine
CID 162097736
tridecan-1-amine;undecan-1-amine
CID 23045943
dotetracontan-1-amine
CID 14550497
N'-(4-fluorophenyl)-N'-pentylpropane-1,3-diamine
CID 43136264
benzene;octadecan-1-amine
CID 175562752
dodecan-1-amine;methane
CID 87204504
CID 158863549
CID 158863549
tetracosan-1-amine;hydrobromide
CID 175600580
octadecan-1-amine;titanium
CID 174493472

Frequently Asked Questions

What is the IUPAC name of 1,4-difluorobenzene;heptan-1-amine?
The IUPAC name of 1,4-difluorobenzene;heptan-1-amine (CID 143706023) is 1,4-difluorobenzene;heptan-1-amine.
What is the SMILES notation for 1,4-difluorobenzene;heptan-1-amine?
The canonical SMILES for 1,4-difluorobenzene;heptan-1-amine is CCCCCCCN.Fc1ccc(F)cc1.
What is the InChIKey of 1,4-difluorobenzene;heptan-1-amine?
The InChIKey is AYBZMHIHYOKSAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N.C6H4F2/c1-2-3-4-5-6-7-8;7-5-1-2-6(8)4-3-5/h2-8H2,1H3;1-4H.
What are the key properties of 1,4-difluorobenzene;heptan-1-amine?
1,4-difluorobenzene;heptan-1-amine has a molecular weight of 229.31 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-difluorobenzene;heptan-1-amine is sourced from PubChem (CID 143706023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).