2,2-difluoro-N'-propan-2-ylpentane-1,5-diamine

C8H18F2N2 — CID 177107742

IUPAC2,2-difluoro-N'-propan-2-ylpentane-1,5-diamine
SMILESCC(C)NCCCC(F)(F)CN
InChIInChI=1S/C8H18F2N2/c1-7(2)12-5-3-4-8(9,10)6-11/h7,12H,3-6,11H2,1-2H3
InChIKeyBSGJZZFGEULHHC-UHFFFAOYSA-N
MW180.24 g/mol
LogP1.36
Rot. Bonds6

About 2,2-difluoro-N'-propan-2-ylpentane-1,5-diamine

2,2-difluoro-N'-propan-2-ylpentane-1,5-diamine (PubChem CID 177107742) has the molecular formula C8H18F2N2 and a molecular weight of 180.24 g/mol. Its IUPAC name is 2,2-difluoro-N'-propan-2-ylpentane-1,5-diamine.

Molecular Properties

Compound Name2,2-difluoro-N'-propan-2-ylpentane-1,5-diamine
PubChem CID177107742
Molecular FormulaC8H18F2N2
Molecular Weight180.24 g/mol
Exact Mass180.14
IUPAC Name2,2-difluoro-N'-propan-2-ylpentane-1,5-diamine
SMILESCC(C)NCCCC(F)(F)CN
InChIInChI=1S/C8H18F2N2/c1-7(2)12-5-3-4-8(9,10)6-11/h7,12H,3-6,11H2,1-2H3
InChIKeyBSGJZZFGEULHHC-UHFFFAOYSA-N
XLogP1.36
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.24
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N'-propan-2-ylpentane-1,5-diamine?
The IUPAC name of 2,2-difluoro-N'-propan-2-ylpentane-1,5-diamine (CID 177107742) is 2,2-difluoro-N'-propan-2-ylpentane-1,5-diamine.
What is the SMILES notation for 2,2-difluoro-N'-propan-2-ylpentane-1,5-diamine?
The canonical SMILES for 2,2-difluoro-N'-propan-2-ylpentane-1,5-diamine is CC(C)NCCCC(F)(F)CN.
What is the InChIKey of 2,2-difluoro-N'-propan-2-ylpentane-1,5-diamine?
The InChIKey is BSGJZZFGEULHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18F2N2/c1-7(2)12-5-3-4-8(9,10)6-11/h7,12H,3-6,11H2,1-2H3.
What are the key properties of 2,2-difluoro-N'-propan-2-ylpentane-1,5-diamine?
2,2-difluoro-N'-propan-2-ylpentane-1,5-diamine has a molecular weight of 180.24 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N'-propan-2-ylpentane-1,5-diamine is sourced from PubChem (CID 177107742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).