N-(1,4-difluorocyclohexa-2,4-dien-1-yl)-N',N'-dimethylethane-1,2-diamine

C10H16F2N2 — CID 173219378

IUPACN-(1,4-difluorocyclohexa-2,4-dien-1-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNC1(F)C=CC(F)=CC1
InChIInChI=1S/C10H16F2N2/c1-14(2)8-7-13-10(12)5-3-9(11)4-6-10/h3-5,13H,6-8H2,1-2H3
InChIKeyUBJGFLMBODNWFW-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.62
Rot. Bonds4

About N-(1,4-difluorocyclohexa-2,4-dien-1-yl)-N',N'-dimethylethane-1,2-diamine

N-(1,4-difluorocyclohexa-2,4-dien-1-yl)-N',N'-dimethylethane-1,2-diamine (PubChem CID 173219378) has the molecular formula C10H16F2N2 and a molecular weight of 202.25 g/mol. Its IUPAC name is N-(1,4-difluorocyclohexa-2,4-dien-1-yl)-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(1,4-difluorocyclohexa-2,4-dien-1-yl)-N',N'-dimethylethane-1,2-diamine
PubChem CID173219378
Molecular FormulaC10H16F2N2
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC NameN-(1,4-difluorocyclohexa-2,4-dien-1-yl)-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNC1(F)C=CC(F)=CC1
InChIInChI=1S/C10H16F2N2/c1-14(2)8-7-13-10(12)5-3-9(11)4-6-10/h3-5,13H,6-8H2,1-2H3
InChIKeyUBJGFLMBODNWFW-UHFFFAOYSA-N
XLogP1.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-difluorocyclohexa-2,4-dien-1-yl)-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-(1,4-difluorocyclohexa-2,4-dien-1-yl)-N',N'-dimethylethane-1,2-diamine (CID 173219378) is N-(1,4-difluorocyclohexa-2,4-dien-1-yl)-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-(1,4-difluorocyclohexa-2,4-dien-1-yl)-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-(1,4-difluorocyclohexa-2,4-dien-1-yl)-N',N'-dimethylethane-1,2-diamine is CN(C)CCNC1(F)C=CC(F)=CC1.
What is the InChIKey of N-(1,4-difluorocyclohexa-2,4-dien-1-yl)-N',N'-dimethylethane-1,2-diamine?
The InChIKey is UBJGFLMBODNWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2/c1-14(2)8-7-13-10(12)5-3-9(11)4-6-10/h3-5,13H,6-8H2,1-2H3.
What are the key properties of N-(1,4-difluorocyclohexa-2,4-dien-1-yl)-N',N'-dimethylethane-1,2-diamine?
N-(1,4-difluorocyclohexa-2,4-dien-1-yl)-N',N'-dimethylethane-1,2-diamine has a molecular weight of 202.25 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-difluorocyclohexa-2,4-dien-1-yl)-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 173219378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).