N'-(4,4,5,5,6,6,7,7-octafluorotetradecyl)ethane-1,2-diamine

C16H28F8N2 — CID 121403391

IUPACN'-(4,4,5,5,6,6,7,7-octafluorotetradecyl)ethane-1,2-diamine
SMILESCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCNCCN
InChIInChI=1S/C16H28F8N2/c1-2-3-4-5-6-8-13(17,18)15(21,22)16(23,24)14(19,20)9-7-11-26-12-10-25/h26H,2-12,25H2,1H3
InChIKeyYHLOIHKVPLNQNU-UHFFFAOYSA-N
MW400.40 g/mol
LogP5.22
Rot. Bonds15

About N'-(4,4,5,5,6,6,7,7-octafluorotetradecyl)ethane-1,2-diamine

N'-(4,4,5,5,6,6,7,7-octafluorotetradecyl)ethane-1,2-diamine (PubChem CID 121403391) has the molecular formula C16H28F8N2 and a molecular weight of 400.40 g/mol. Its IUPAC name is N'-(4,4,5,5,6,6,7,7-octafluorotetradecyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4,4,5,5,6,6,7,7-octafluorotetradecyl)ethane-1,2-diamine
PubChem CID121403391
Molecular FormulaC16H28F8N2
Molecular Weight400.40 g/mol
Exact Mass400.21
IUPAC NameN'-(4,4,5,5,6,6,7,7-octafluorotetradecyl)ethane-1,2-diamine
SMILESCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCNCCN
InChIInChI=1S/C16H28F8N2/c1-2-3-4-5-6-8-13(17,18)15(21,22)16(23,24)14(19,20)9-7-11-26-12-10-25/h26H,2-12,25H2,1H3
InChIKeyYHLOIHKVPLNQNU-UHFFFAOYSA-N
XLogP5.22
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.40
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16-hexadecafluorohexacosane
CID 89419205
N'-docosylethane-1,2-diamine
CID 18783196
N'-henicosylethane-1,2-diamine
CID 22930907
3,3,4,4,5,5,6,6-octafluorotridecane
CID 121404861
N'-[2-(hexatriacontylamino)ethyl]ethane-1,2-diamine
CID 88704371
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodotriacontane
CID 138394291
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7-pentadecafluorotridecane
CID 15266676
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluoroicosane
CID 22404665
1,1,1,2,2,3,3,4,4,5,5-undecafluoroundecane
CID 98452289
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluorooctacosane
CID 99647814
1,1,1,2,2,3,3-heptafluoroicosane
CID 98452405
N-hexylhexan-1-amine;propan-1-amine
CID 87675299

Frequently Asked Questions

What is the IUPAC name of N'-(4,4,5,5,6,6,7,7-octafluorotetradecyl)ethane-1,2-diamine?
The IUPAC name of N'-(4,4,5,5,6,6,7,7-octafluorotetradecyl)ethane-1,2-diamine (CID 121403391) is N'-(4,4,5,5,6,6,7,7-octafluorotetradecyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(4,4,5,5,6,6,7,7-octafluorotetradecyl)ethane-1,2-diamine?
The canonical SMILES for N'-(4,4,5,5,6,6,7,7-octafluorotetradecyl)ethane-1,2-diamine is CCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCNCCN.
What is the InChIKey of N'-(4,4,5,5,6,6,7,7-octafluorotetradecyl)ethane-1,2-diamine?
The InChIKey is YHLOIHKVPLNQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F8N2/c1-2-3-4-5-6-8-13(17,18)15(21,22)16(23,24)14(19,20)9-7-11-26-12-10-25/h26H,2-12,25H2,1H3.
What are the key properties of N'-(4,4,5,5,6,6,7,7-octafluorotetradecyl)ethane-1,2-diamine?
N'-(4,4,5,5,6,6,7,7-octafluorotetradecyl)ethane-1,2-diamine has a molecular weight of 400.40 g/mol, XLogP of 5.22, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,4,5,5,6,6,7,7-octafluorotetradecyl)ethane-1,2-diamine is sourced from PubChem (CID 121403391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).