2,2-difluoro-N,N'-dimethyl-N'-propan-2-ylpropane-1,3-diamine

C8H18F2N2 — CID 165464054

IUPAC2,2-difluoro-N,N'-dimethyl-N'-propan-2-ylpropane-1,3-diamine
SMILESCNCC(F)(F)CN(C)C(C)C
InChIInChI=1S/C8H18F2N2/c1-7(2)12(4)6-8(9,10)5-11-3/h7,11H,5-6H2,1-4H3
InChIKeyPCBPVHWQSLYDAV-UHFFFAOYSA-N
MW180.24 g/mol
LogP1.18
Rot. Bonds5

About 2,2-difluoro-N,N'-dimethyl-N'-propan-2-ylpropane-1,3-diamine

2,2-difluoro-N,N'-dimethyl-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 165464054) has the molecular formula C8H18F2N2 and a molecular weight of 180.24 g/mol. Its IUPAC name is 2,2-difluoro-N,N'-dimethyl-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound Name2,2-difluoro-N,N'-dimethyl-N'-propan-2-ylpropane-1,3-diamine
PubChem CID165464054
Molecular FormulaC8H18F2N2
Molecular Weight180.24 g/mol
Exact Mass180.14
IUPAC Name2,2-difluoro-N,N'-dimethyl-N'-propan-2-ylpropane-1,3-diamine
SMILESCNCC(F)(F)CN(C)C(C)C
InChIInChI=1S/C8H18F2N2/c1-7(2)12(4)6-8(9,10)5-11-3/h7,11H,5-6H2,1-4H3
InChIKeyPCBPVHWQSLYDAV-UHFFFAOYSA-N
XLogP1.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.24
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N,N'-dimethyl-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of 2,2-difluoro-N,N'-dimethyl-N'-propan-2-ylpropane-1,3-diamine (CID 165464054) is 2,2-difluoro-N,N'-dimethyl-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for 2,2-difluoro-N,N'-dimethyl-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for 2,2-difluoro-N,N'-dimethyl-N'-propan-2-ylpropane-1,3-diamine is CNCC(F)(F)CN(C)C(C)C.
What is the InChIKey of 2,2-difluoro-N,N'-dimethyl-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is PCBPVHWQSLYDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18F2N2/c1-7(2)12(4)6-8(9,10)5-11-3/h7,11H,5-6H2,1-4H3.
What are the key properties of 2,2-difluoro-N,N'-dimethyl-N'-propan-2-ylpropane-1,3-diamine?
2,2-difluoro-N,N'-dimethyl-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 180.24 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N,N'-dimethyl-N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 165464054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).