1,1-difluoro-3-methylideneoctane-2,6-diamine

C9H18F2N2 — CID 88692921

IUPAC1,1-difluoro-3-methylideneoctane-2,6-diamine
SMILESC=C(CCC(N)CC)C(N)C(F)F
InChIInChI=1S/C9H18F2N2/c1-3-7(12)5-4-6(2)8(13)9(10)11/h7-9H,2-5,12-13H2,1H3
InChIKeyWMBGAGPIIIQQMV-UHFFFAOYSA-N
MW192.25 g/mol
LogP1.65
Rot. Bonds6

About 1,1-difluoro-3-methylideneoctane-2,6-diamine

1,1-difluoro-3-methylideneoctane-2,6-diamine (PubChem CID 88692921) has the molecular formula C9H18F2N2 and a molecular weight of 192.25 g/mol. Its IUPAC name is 1,1-difluoro-3-methylideneoctane-2,6-diamine.

Molecular Properties

Compound Name1,1-difluoro-3-methylideneoctane-2,6-diamine
PubChem CID88692921
Molecular FormulaC9H18F2N2
Molecular Weight192.25 g/mol
Exact Mass192.14
IUPAC Name1,1-difluoro-3-methylideneoctane-2,6-diamine
SMILESC=C(CCC(N)CC)C(N)C(F)F
InChIInChI=1S/C9H18F2N2/c1-3-7(12)5-4-6(2)8(13)9(10)11/h7-9H,2-5,12-13H2,1H3
InChIKeyWMBGAGPIIIQQMV-UHFFFAOYSA-N
XLogP1.65
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-methylideneoctane-2,6-diamine?
The IUPAC name of 1,1-difluoro-3-methylideneoctane-2,6-diamine (CID 88692921) is 1,1-difluoro-3-methylideneoctane-2,6-diamine.
What is the SMILES notation for 1,1-difluoro-3-methylideneoctane-2,6-diamine?
The canonical SMILES for 1,1-difluoro-3-methylideneoctane-2,6-diamine is C=C(CCC(N)CC)C(N)C(F)F.
What is the InChIKey of 1,1-difluoro-3-methylideneoctane-2,6-diamine?
The InChIKey is WMBGAGPIIIQQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2/c1-3-7(12)5-4-6(2)8(13)9(10)11/h7-9H,2-5,12-13H2,1H3.
What are the key properties of 1,1-difluoro-3-methylideneoctane-2,6-diamine?
1,1-difluoro-3-methylideneoctane-2,6-diamine has a molecular weight of 192.25 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-methylideneoctane-2,6-diamine is sourced from PubChem (CID 88692921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).