N'-(2,4-difluorocyclohexa-1,3-dien-1-yl)-N,N,N'-trimethylethane-1,2-diamine

C11H18F2N2 — CID 145487065

IUPACN'-(2,4-difluorocyclohexa-1,3-dien-1-yl)-N,N,N'-trimethylethane-1,2-diamine
SMILESCN(C)CCN(C)C1=C(F)C=C(F)CC1
InChIInChI=1S/C11H18F2N2/c1-14(2)6-7-15(3)11-5-4-9(12)8-10(11)13/h8H,4-7H2,1-3H3
InChIKeyPFAZNKIIQKVBGT-UHFFFAOYSA-N
MW216.27 g/mol
LogP2.31
Rot. Bonds4

About N'-(2,4-difluorocyclohexa-1,3-dien-1-yl)-N,N,N'-trimethylethane-1,2-diamine

N'-(2,4-difluorocyclohexa-1,3-dien-1-yl)-N,N,N'-trimethylethane-1,2-diamine (PubChem CID 145487065) has the molecular formula C11H18F2N2 and a molecular weight of 216.27 g/mol. Its IUPAC name is N'-(2,4-difluorocyclohexa-1,3-dien-1-yl)-N,N,N'-trimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2,4-difluorocyclohexa-1,3-dien-1-yl)-N,N,N'-trimethylethane-1,2-diamine
PubChem CID145487065
Molecular FormulaC11H18F2N2
Molecular Weight216.27 g/mol
Exact Mass216.14
IUPAC NameN'-(2,4-difluorocyclohexa-1,3-dien-1-yl)-N,N,N'-trimethylethane-1,2-diamine
SMILESCN(C)CCN(C)C1=C(F)C=C(F)CC1
InChIInChI=1S/C11H18F2N2/c1-14(2)6-7-15(3)11-5-4-9(12)8-10(11)13/h8H,4-7H2,1-3H3
InChIKeyPFAZNKIIQKVBGT-UHFFFAOYSA-N
XLogP2.31
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.27
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N'-(2,4-difluorocyclohexa-1,3-dien-1-yl)-N,N,N'-trimethylethane-1,2-diamine with MolForge

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Related Compounds

N-butyl-1-fluoro-N-(fluoromethyl)cyclohexa-2,4-dien-1-amine
CID 22638271
N,N,N'-trimethyl-N'-[6-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]ethane-1,2-diamine
CID 123566839
1-(2-Fluorocyclohexa-1,3-dien-1-yl)-4-methylpiperazine
CID 141158726
1-[(3Z,5Z)-3,7-difluoroocta-1,3,5-trien-4-yl]-4-propylpiperazine
CID 142099569
1-(4-Fluorocyclohexa-1,3-dien-1-yl)-4-pentylpiperazine
CID 142182809
N'-(4-fluorocyclohexa-1,3-dien-1-yl)-N,N'-dimethylethane-1,2-diamine
CID 142349477
4-fluoro-N-methyl-N-propylcyclohexa-1,3-dien-1-amine
CID 143106653
4-(4-Fluorocyclohexa-1,3-dien-1-yl)-1,2,2-trimethylpiperazine
CID 144662376
(2R)-4-(4-fluorocyclohexa-1,3-dien-1-yl)-1,2-dimethylpiperazine
CID 144662385
1-(4-Fluorocyclohexa-1,3-dien-1-yl)-2,4-dimethylpiperazine
CID 144662412
1-N-[2-(dimethylamino)ethyl]-2-fluoro-1-N-methylcyclohexa-1,3-diene-1,4-diamine
CID 153631110
4-N-[2-(dimethylamino)ethyl]-2-fluoro-4-N-methylcyclohexa-1,3-diene-1,4-diamine
CID 153631397

Frequently Asked Questions

What is the IUPAC name of N'-(2,4-difluorocyclohexa-1,3-dien-1-yl)-N,N,N'-trimethylethane-1,2-diamine?
The IUPAC name of N'-(2,4-difluorocyclohexa-1,3-dien-1-yl)-N,N,N'-trimethylethane-1,2-diamine (CID 145487065) is N'-(2,4-difluorocyclohexa-1,3-dien-1-yl)-N,N,N'-trimethylethane-1,2-diamine.
What is the SMILES notation for N'-(2,4-difluorocyclohexa-1,3-dien-1-yl)-N,N,N'-trimethylethane-1,2-diamine?
The canonical SMILES for N'-(2,4-difluorocyclohexa-1,3-dien-1-yl)-N,N,N'-trimethylethane-1,2-diamine is CN(C)CCN(C)C1=C(F)C=C(F)CC1.
What is the InChIKey of N'-(2,4-difluorocyclohexa-1,3-dien-1-yl)-N,N,N'-trimethylethane-1,2-diamine?
The InChIKey is PFAZNKIIQKVBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2/c1-14(2)6-7-15(3)11-5-4-9(12)8-10(11)13/h8H,4-7H2,1-3H3.
What are the key properties of N'-(2,4-difluorocyclohexa-1,3-dien-1-yl)-N,N,N'-trimethylethane-1,2-diamine?
N'-(2,4-difluorocyclohexa-1,3-dien-1-yl)-N,N,N'-trimethylethane-1,2-diamine has a molecular weight of 216.27 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,4-difluorocyclohexa-1,3-dien-1-yl)-N,N,N'-trimethylethane-1,2-diamine is sourced from PubChem (CID 145487065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).