N-cyclopropyl-2,2-difluoro-N',N'-dimethylpropane-1,3-diamine

C8H16F2N2 — CID 165467374

IUPACN-cyclopropyl-2,2-difluoro-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CC(F)(F)CNC1CC1
InChIInChI=1S/C8H16F2N2/c1-12(2)6-8(9,10)5-11-7-3-4-7/h7,11H,3-6H2,1-2H3
InChIKeyKBMQZMSNTJZGMH-UHFFFAOYSA-N
MW178.23 g/mol
LogP0.94
Rot. Bonds5

About N-cyclopropyl-2,2-difluoro-N',N'-dimethylpropane-1,3-diamine

N-cyclopropyl-2,2-difluoro-N',N'-dimethylpropane-1,3-diamine (PubChem CID 165467374) has the molecular formula C8H16F2N2 and a molecular weight of 178.23 g/mol. Its IUPAC name is N-cyclopropyl-2,2-difluoro-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-cyclopropyl-2,2-difluoro-N',N'-dimethylpropane-1,3-diamine
PubChem CID165467374
Molecular FormulaC8H16F2N2
Molecular Weight178.23 g/mol
Exact Mass178.13
IUPAC NameN-cyclopropyl-2,2-difluoro-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CC(F)(F)CNC1CC1
InChIInChI=1S/C8H16F2N2/c1-12(2)6-8(9,10)5-11-7-3-4-7/h7,11H,3-6H2,1-2H3
InChIKeyKBMQZMSNTJZGMH-UHFFFAOYSA-N
XLogP0.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2,2-difluoro-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-cyclopropyl-2,2-difluoro-N',N'-dimethylpropane-1,3-diamine (CID 165467374) is N-cyclopropyl-2,2-difluoro-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-cyclopropyl-2,2-difluoro-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-cyclopropyl-2,2-difluoro-N',N'-dimethylpropane-1,3-diamine is CN(C)CC(F)(F)CNC1CC1.
What is the InChIKey of N-cyclopropyl-2,2-difluoro-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is KBMQZMSNTJZGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2/c1-12(2)6-8(9,10)5-11-7-3-4-7/h7,11H,3-6H2,1-2H3.
What are the key properties of N-cyclopropyl-2,2-difluoro-N',N'-dimethylpropane-1,3-diamine?
N-cyclopropyl-2,2-difluoro-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 178.23 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2,2-difluoro-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 165467374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).