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

C12F27N — CID 18981565

IUPAC1,1,2,3,3,3-hexafluoro-N,N-bis[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propyl]-2-(trifluoromethyl)propan-1-amine
SMILESFC(F)(F)C(F)(C(F)(F)F)C(F)(F)N(C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12F27N/c13-1(4(16,17)18,5(19,20)21)10(34,35)40(11(36,37)2(14,6(22,23)24)7(25,26)27)12(38,39)3(15,8(28,29)30)9(31,32)33
InChIKeyKMJUSGYBXKUENE-UHFFFAOYSA-N
MW671.08 g/mol
LogP8.57
Rot. Bonds6

About 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

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 (PubChem CID 18981565) has the molecular formula C12F27N and a molecular weight of 671.08 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1,1,2,3,3,3-hexafluoro-N,N-bis[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propyl]-2-(trifluoromethyl)propan-1-amine
PubChem CID18981565
Molecular FormulaC12F27N
Molecular Weight671.08 g/mol
Exact Mass670.96
IUPAC Name1,1,2,3,3,3-hexafluoro-N,N-bis[1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propyl]-2-(trifluoromethyl)propan-1-amine
SMILESFC(F)(F)C(F)(C(F)(F)F)C(F)(F)N(C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12F27N/c13-1(4(16,17)18,5(19,20)21)10(34,35)40(11(36,37)2(14,6(22,23)24)7(25,26)27)12(38,39)3(15,8(28,29)30)9(31,32)33
InChIKeyKMJUSGYBXKUENE-UHFFFAOYSA-N
XLogP8.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.08
LogP ≤ 58.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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
cobalt(3+);tris(1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propan-1-olate)
CID 173155428
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
3-[bis(1,1,2,2,2-pentafluoroethyl)amino]-2,2,3,3-tetrafluoropropanoyl fluoride
CID 14361493
1,1,1,2,3,3,3-heptafluoro-2-(trifluoromethyl)propane;1,1,2,2,3,3,4,4-octafluorocyclobutane
CID 175593131
potassium 2-[[bis(trifluoromethyl)amino]-difluoromethyl]-2,3,3,3-tetrafluoropropanoate
CID 4271848
1,1,1,2,2-pentafluoro-2-[1,1,2,2,2-pentafluoroethyl(sulfinato)amino]ethane
CID 162617772
2-[difluoro(iodo)methyl]-1,1,1,2,3,3,4,4,4-nonafluorobutane
CID 139983372
[1,1,1,2,4,5,5,5-octafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,4-bis(trifluoromethyl)pentan-3-yl] hypofluorite
CID 87319034
2-[difluoro(propoxy)methyl]-1,1,1,2,3,3,3-heptafluoropropane
CID 22450708
1,1,2,2,3,3,3-heptafluoro-N,N-dimethylpropan-1-amine
CID 170273224
1,1,1,2,3,3,4,5,6,6,6-undecafluoro-4-methyl-2,5-bis(trifluoromethyl)hexane
CID 89358349

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is FC(F)(F)C(F)(C(F)(F)F)C(F)(F)N(C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 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?
The InChIKey is KMJUSGYBXKUENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12F27N/c13-1(4(16,17)18,5(19,20)21)10(34,35)40(11(36,37)2(14,6(22,23)24)7(25,26)27)12(38,39)3(15,8(28,29)30)9(31,32)33.
What are the key properties of 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?
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 has a molecular weight of 671.08 g/mol, XLogP of 8.57, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 18981565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).