N'-(2-fluorocyclohexa-1,3-dien-1-yl)-N,N'-dimethylethane-1,2-diamine

C10H17FN2 — CID 170641457

IUPACN'-(2-fluorocyclohexa-1,3-dien-1-yl)-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)C1=C(F)C=CCC1
InChIInChI=1S/C10H17FN2/c1-12-7-8-13(2)10-6-4-3-5-9(10)11/h3,5,12H,4,6-8H2,1-2H3
InChIKeyPNZXOQZYRANMDH-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.67
Rot. Bonds4

About N'-(2-fluorocyclohexa-1,3-dien-1-yl)-N,N'-dimethylethane-1,2-diamine

N'-(2-fluorocyclohexa-1,3-dien-1-yl)-N,N'-dimethylethane-1,2-diamine (PubChem CID 170641457) has the molecular formula C10H17FN2 and a molecular weight of 184.26 g/mol. Its IUPAC name is N'-(2-fluorocyclohexa-1,3-dien-1-yl)-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-fluorocyclohexa-1,3-dien-1-yl)-N,N'-dimethylethane-1,2-diamine
PubChem CID170641457
Molecular FormulaC10H17FN2
Molecular Weight184.26 g/mol
Exact Mass184.14
IUPAC NameN'-(2-fluorocyclohexa-1,3-dien-1-yl)-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)C1=C(F)C=CCC1
InChIInChI=1S/C10H17FN2/c1-12-7-8-13(2)10-6-4-3-5-9(10)11/h3,5,12H,4,6-8H2,1-2H3
InChIKeyPNZXOQZYRANMDH-UHFFFAOYSA-N
XLogP1.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-(2-fluorocyclohexa-1,3-dien-1-yl)-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-(2-fluorocyclohexa-1,3-dien-1-yl)-N,N'-dimethylethane-1,2-diamine (CID 170641457) is N'-(2-fluorocyclohexa-1,3-dien-1-yl)-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-(2-fluorocyclohexa-1,3-dien-1-yl)-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-(2-fluorocyclohexa-1,3-dien-1-yl)-N,N'-dimethylethane-1,2-diamine is CNCCN(C)C1=C(F)C=CCC1.
What is the InChIKey of N'-(2-fluorocyclohexa-1,3-dien-1-yl)-N,N'-dimethylethane-1,2-diamine?
The InChIKey is PNZXOQZYRANMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN2/c1-12-7-8-13(2)10-6-4-3-5-9(10)11/h3,5,12H,4,6-8H2,1-2H3.
What are the key properties of N'-(2-fluorocyclohexa-1,3-dien-1-yl)-N,N'-dimethylethane-1,2-diamine?
N'-(2-fluorocyclohexa-1,3-dien-1-yl)-N,N'-dimethylethane-1,2-diamine has a molecular weight of 184.26 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluorocyclohexa-1,3-dien-1-yl)-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 170641457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).