2-N-(2,2-difluoroethyl)undecane-1,2-diamine

C13H28F2N2 — CID 114078509

IUPAC2-N-(2,2-difluoroethyl)undecane-1,2-diamine
SMILESCCCCCCCCCC(CN)NCC(F)F
InChIInChI=1S/C13H28F2N2/c1-2-3-4-5-6-7-8-9-12(10-16)17-11-13(14)15/h12-13,17H,2-11,16H2,1H3
InChIKeyUSMPHJNKDXVLOJ-UHFFFAOYSA-N
MW250.38 g/mol
LogP3.31
Rot. Bonds12

About 2-N-(2,2-difluoroethyl)undecane-1,2-diamine

2-N-(2,2-difluoroethyl)undecane-1,2-diamine (PubChem CID 114078509) has the molecular formula C13H28F2N2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 2-N-(2,2-difluoroethyl)undecane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2,2-difluoroethyl)undecane-1,2-diamine
PubChem CID114078509
Molecular FormulaC13H28F2N2
Molecular Weight250.38 g/mol
Exact Mass250.22
IUPAC Name2-N-(2,2-difluoroethyl)undecane-1,2-diamine
SMILESCCCCCCCCCC(CN)NCC(F)F
InChIInChI=1S/C13H28F2N2/c1-2-3-4-5-6-7-8-9-12(10-16)17-11-13(14)15/h12-13,17H,2-11,16H2,1H3
InChIKeyUSMPHJNKDXVLOJ-UHFFFAOYSA-N
XLogP3.31
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 53.31
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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Related Compounds

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2-N-dodecylbutane-1,2,4-triamine
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CID 115406450
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CID 87847195
2-N-(2-fluorophenyl)nonane-1,2-diamine
CID 65377519
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Frequently Asked Questions

What is the IUPAC name of 2-N-(2,2-difluoroethyl)undecane-1,2-diamine?
The IUPAC name of 2-N-(2,2-difluoroethyl)undecane-1,2-diamine (CID 114078509) is 2-N-(2,2-difluoroethyl)undecane-1,2-diamine.
What is the SMILES notation for 2-N-(2,2-difluoroethyl)undecane-1,2-diamine?
The canonical SMILES for 2-N-(2,2-difluoroethyl)undecane-1,2-diamine is CCCCCCCCCC(CN)NCC(F)F.
What is the InChIKey of 2-N-(2,2-difluoroethyl)undecane-1,2-diamine?
The InChIKey is USMPHJNKDXVLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28F2N2/c1-2-3-4-5-6-7-8-9-12(10-16)17-11-13(14)15/h12-13,17H,2-11,16H2,1H3.
What are the key properties of 2-N-(2,2-difluoroethyl)undecane-1,2-diamine?
2-N-(2,2-difluoroethyl)undecane-1,2-diamine has a molecular weight of 250.38 g/mol, XLogP of 3.31, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,2-difluoroethyl)undecane-1,2-diamine is sourced from PubChem (CID 114078509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).