N,N'-bis(2,2,3,3,3-pentafluoropropyl)hexane-1,6-diamine

C12H18F10N2 — CID 87730183

IUPACN,N'-bis(2,2,3,3,3-pentafluoropropyl)hexane-1,6-diamine
SMILESFC(F)(F)C(F)(F)CNCCCCCCNCC(F)(F)C(F)(F)F
InChIInChI=1S/C12H18F10N2/c13-9(14,11(17,18)19)7-23-5-3-1-2-4-6-24-8-10(15,16)12(20,21)22/h23-24H,1-8H2
InChIKeySLQBYLKZVQQEKP-UHFFFAOYSA-N
MW380.27 g/mol
LogP4.12
Rot. Bonds11

About N,N'-bis(2,2,3,3,3-pentafluoropropyl)hexane-1,6-diamine

N,N'-bis(2,2,3,3,3-pentafluoropropyl)hexane-1,6-diamine (PubChem CID 87730183) has the molecular formula C12H18F10N2 and a molecular weight of 380.27 g/mol. Its IUPAC name is N,N'-bis(2,2,3,3,3-pentafluoropropyl)hexane-1,6-diamine.

Molecular Properties

Compound NameN,N'-bis(2,2,3,3,3-pentafluoropropyl)hexane-1,6-diamine
PubChem CID87730183
Molecular FormulaC12H18F10N2
Molecular Weight380.27 g/mol
Exact Mass380.13
IUPAC NameN,N'-bis(2,2,3,3,3-pentafluoropropyl)hexane-1,6-diamine
SMILESFC(F)(F)C(F)(F)CNCCCCCCNCC(F)(F)C(F)(F)F
InChIInChI=1S/C12H18F10N2/c13-9(14,11(17,18)19)7-23-5-3-1-2-4-6-24-8-10(15,16)12(20,21)22/h23-24H,1-8H2
InChIKeySLQBYLKZVQQEKP-UHFFFAOYSA-N
XLogP4.12
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.27
LogP ≤ 54.12
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

N'-tert-butyl-N-(2,2,3,3,3-pentafluoropropyl)propane-1,3-diamine
CID 113410451
3-(decylamino)-1,1,1-trifluoro-2-methylpropan-2-ol
CID 157184165
N'-(2,2,2-trifluoroethyl)hexane-1,6-diamine
CID 61150221
N-(2,2-difluoropropyl)heptan-1-amine
CID 157402508
6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluoro-N-(6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluorotridecyl)tridecan-1-amine
CID 10533986
N-(2,2-difluorobutyl)dodecan-1-amine
CID 159120167
N-(2-cyclobutyl-2,2-difluoroethyl)pentan-1-amine;4-methyl-N-(2,2,3,3,3-pentafluoropropyl)pentan-1-amine
CID 142528808
4-chloro-N-(2,2,2-trifluoroethyl)butan-1-amine
CID 106844209
N-(2,2,3,3-tetrafluoropropyl)decan-1-amine
CID 106289504
N-(7-methyloctyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 114004195
N-(2,2,2-trifluoroethyl)hex-5-yn-1-amine
CID 106211409
[12-(hydroxymethylamino)dodecylamino]methanol
CID 20588216

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2,2,3,3,3-pentafluoropropyl)hexane-1,6-diamine?
The IUPAC name of N,N'-bis(2,2,3,3,3-pentafluoropropyl)hexane-1,6-diamine (CID 87730183) is N,N'-bis(2,2,3,3,3-pentafluoropropyl)hexane-1,6-diamine.
What is the SMILES notation for N,N'-bis(2,2,3,3,3-pentafluoropropyl)hexane-1,6-diamine?
The canonical SMILES for N,N'-bis(2,2,3,3,3-pentafluoropropyl)hexane-1,6-diamine is FC(F)(F)C(F)(F)CNCCCCCCNCC(F)(F)C(F)(F)F.
What is the InChIKey of N,N'-bis(2,2,3,3,3-pentafluoropropyl)hexane-1,6-diamine?
The InChIKey is SLQBYLKZVQQEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F10N2/c13-9(14,11(17,18)19)7-23-5-3-1-2-4-6-24-8-10(15,16)12(20,21)22/h23-24H,1-8H2.
What are the key properties of N,N'-bis(2,2,3,3,3-pentafluoropropyl)hexane-1,6-diamine?
N,N'-bis(2,2,3,3,3-pentafluoropropyl)hexane-1,6-diamine has a molecular weight of 380.27 g/mol, XLogP of 4.12, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2,2,3,3,3-pentafluoropropyl)hexane-1,6-diamine is sourced from PubChem (CID 87730183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).