3,3,3-trifluoro-N,N-bis[3,3,3-trifluoro-2,2-bis(trifluoromethyl)propyl]-2,2-bis(trifluoromethyl)propan-1-amine

C15H6F27N — CID 23271690

IUPAC3,3,3-trifluoro-N,N-bis[3,3,3-trifluoro-2,2-bis(trifluoromethyl)propyl]-2,2-bis(trifluoromethyl)propan-1-amine
SMILESFC(F)(F)C(CN(CC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)CC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H6F27N/c16-7(17,18)4(8(19,20)21,9(22,23)24)1-43(2-5(10(25,26)27,11(28,29)30)12(31,32)33)3-6(13(34,35)36,14(37,38)39)15(40,41)42/h1-3H2
InChIKeyVEYMAHSDQGAAGR-UHFFFAOYSA-N
MW713.17 g/mol
LogP9.31
Rot. Bonds6

About 3,3,3-trifluoro-N,N-bis[3,3,3-trifluoro-2,2-bis(trifluoromethyl)propyl]-2,2-bis(trifluoromethyl)propan-1-amine

3,3,3-trifluoro-N,N-bis[3,3,3-trifluoro-2,2-bis(trifluoromethyl)propyl]-2,2-bis(trifluoromethyl)propan-1-amine (PubChem CID 23271690) has the molecular formula C15H6F27N and a molecular weight of 713.17 g/mol. Its IUPAC name is 3,3,3-trifluoro-N,N-bis[3,3,3-trifluoro-2,2-bis(trifluoromethyl)propyl]-2,2-bis(trifluoromethyl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N,N-bis[3,3,3-trifluoro-2,2-bis(trifluoromethyl)propyl]-2,2-bis(trifluoromethyl)propan-1-amine
PubChem CID23271690
Molecular FormulaC15H6F27N
Molecular Weight713.17 g/mol
Exact Mass713.01
IUPAC Name3,3,3-trifluoro-N,N-bis[3,3,3-trifluoro-2,2-bis(trifluoromethyl)propyl]-2,2-bis(trifluoromethyl)propan-1-amine
SMILESFC(F)(F)C(CN(CC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)CC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H6F27N/c16-7(17,18)4(8(19,20)21,9(22,23)24)1-43(2-5(10(25,26)27,11(28,29)30)12(31,32)33)3-6(13(34,35)36,14(37,38)39)15(40,41)42/h1-3H2
InChIKeyVEYMAHSDQGAAGR-UHFFFAOYSA-N
XLogP9.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.17
LogP ≤ 59.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N,N-bis[3,3,3-trifluoro-2,2-bis(trifluoromethyl)propyl]-2,2-bis(trifluoromethyl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-N,N-bis[3,3,3-trifluoro-2,2-bis(trifluoromethyl)propyl]-2,2-bis(trifluoromethyl)propan-1-amine (CID 23271690) is 3,3,3-trifluoro-N,N-bis[3,3,3-trifluoro-2,2-bis(trifluoromethyl)propyl]-2,2-bis(trifluoromethyl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-N,N-bis[3,3,3-trifluoro-2,2-bis(trifluoromethyl)propyl]-2,2-bis(trifluoromethyl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-N,N-bis[3,3,3-trifluoro-2,2-bis(trifluoromethyl)propyl]-2,2-bis(trifluoromethyl)propan-1-amine is FC(F)(F)C(CN(CC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)CC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N,N-bis[3,3,3-trifluoro-2,2-bis(trifluoromethyl)propyl]-2,2-bis(trifluoromethyl)propan-1-amine?
The InChIKey is VEYMAHSDQGAAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H6F27N/c16-7(17,18)4(8(19,20)21,9(22,23)24)1-43(2-5(10(25,26)27,11(28,29)30)12(31,32)33)3-6(13(34,35)36,14(37,38)39)15(40,41)42/h1-3H2.
What are the key properties of 3,3,3-trifluoro-N,N-bis[3,3,3-trifluoro-2,2-bis(trifluoromethyl)propyl]-2,2-bis(trifluoromethyl)propan-1-amine?
3,3,3-trifluoro-N,N-bis[3,3,3-trifluoro-2,2-bis(trifluoromethyl)propyl]-2,2-bis(trifluoromethyl)propan-1-amine has a molecular weight of 713.17 g/mol, XLogP of 9.31, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N,N-bis[3,3,3-trifluoro-2,2-bis(trifluoromethyl)propyl]-2,2-bis(trifluoromethyl)propan-1-amine is sourced from PubChem (CID 23271690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).