1,1,2,2,3,3,4,4,4-nonafluoro-N,N-bis(1,1,2,2,3,3,3-heptafluoropropyl)butan-1-amine

C10F23N — CID 19898566

IUPAC1,1,2,2,3,3,4,4,4-nonafluoro-N,N-bis(1,1,2,2,3,3,3-heptafluoropropyl)butan-1-amine
SMILESFC(F)(F)C(F)(F)C(F)(F)N(C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10F23N/c11-1(12,5(19,20)21)2(13,14)8(28,29)34(9(30,31)3(15,16)6(22,23)24)10(32,33)4(17,18)7(25,26)27
InChIKeyCJAFXLJLGHAEOC-UHFFFAOYSA-N
MW571.07 g/mol
LogP7.29
Rot. Bonds7

About 1,1,2,2,3,3,4,4,4-nonafluoro-N,N-bis(1,1,2,2,3,3,3-heptafluoropropyl)butan-1-amine

1,1,2,2,3,3,4,4,4-nonafluoro-N,N-bis(1,1,2,2,3,3,3-heptafluoropropyl)butan-1-amine (PubChem CID 19898566) has the molecular formula C10F23N and a molecular weight of 571.07 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,4-nonafluoro-N,N-bis(1,1,2,2,3,3,3-heptafluoropropyl)butan-1-amine.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,4-nonafluoro-N,N-bis(1,1,2,2,3,3,3-heptafluoropropyl)butan-1-amine
PubChem CID19898566
Molecular FormulaC10F23N
Molecular Weight571.07 g/mol
Exact Mass570.97
IUPAC Name1,1,2,2,3,3,4,4,4-nonafluoro-N,N-bis(1,1,2,2,3,3,3-heptafluoropropyl)butan-1-amine
SMILESFC(F)(F)C(F)(F)C(F)(F)N(C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10F23N/c11-1(12,5(19,20)21)2(13,14)8(28,29)34(9(30,31)3(15,16)6(22,23)24)10(32,33)4(17,18)7(25,26)27
InChIKeyCJAFXLJLGHAEOC-UHFFFAOYSA-N
XLogP7.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.07
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1,1,2,2,3,3,4,4-octafluoro-N,N-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pentan-1-amine
CID 90441308
N,1,1,2,2,3,3,4,4,5,5,5-dodecafluoro-N-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)pentan-1-amine
CID 15932893
CID 175811708
CID 175811708
1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydrofluoride
CID 175814235
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-hexadecafluoroheptane;1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane
CID 22712913
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratetracontafluorohenicosane
CID 141072652
1,1,2,2,3,3,3-heptafluoro-N,N-dimethylpropan-1-amine
CID 170273224
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluorooctane;hydrochloride
CID 172708323
1,1,2,3,3,3-hexafluoro-N,N-bis[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propyl]-2-(trifluoromethyl)propan-1-amine
CID 18981565
1,1,1,2,2,3,3,3-octafluoropropane
CID 6432
1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylphosphane
CID 21095712
tris(1,1,2,2,3,3,4,4,4-nonafluorobutyl)arsane
CID 15800040

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4,4-nonafluoro-N,N-bis(1,1,2,2,3,3,3-heptafluoropropyl)butan-1-amine?
The IUPAC name of 1,1,2,2,3,3,4,4,4-nonafluoro-N,N-bis(1,1,2,2,3,3,3-heptafluoropropyl)butan-1-amine (CID 19898566) is 1,1,2,2,3,3,4,4,4-nonafluoro-N,N-bis(1,1,2,2,3,3,3-heptafluoropropyl)butan-1-amine.
What is the SMILES notation for 1,1,2,2,3,3,4,4,4-nonafluoro-N,N-bis(1,1,2,2,3,3,3-heptafluoropropyl)butan-1-amine?
The canonical SMILES for 1,1,2,2,3,3,4,4,4-nonafluoro-N,N-bis(1,1,2,2,3,3,3-heptafluoropropyl)butan-1-amine is FC(F)(F)C(F)(F)C(F)(F)N(C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4,4-nonafluoro-N,N-bis(1,1,2,2,3,3,3-heptafluoropropyl)butan-1-amine?
The InChIKey is CJAFXLJLGHAEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10F23N/c11-1(12,5(19,20)21)2(13,14)8(28,29)34(9(30,31)3(15,16)6(22,23)24)10(32,33)4(17,18)7(25,26)27.
What are the key properties of 1,1,2,2,3,3,4,4,4-nonafluoro-N,N-bis(1,1,2,2,3,3,3-heptafluoropropyl)butan-1-amine?
1,1,2,2,3,3,4,4,4-nonafluoro-N,N-bis(1,1,2,2,3,3,3-heptafluoropropyl)butan-1-amine has a molecular weight of 571.07 g/mol, XLogP of 7.29, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,4-nonafluoro-N,N-bis(1,1,2,2,3,3,3-heptafluoropropyl)butan-1-amine is sourced from PubChem (CID 19898566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).