1,1,1,3,3-pentafluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)-N-propyl-N-(4,4,4-trifluorobutyl)butan-2-amine

C15H19F14NO — CID 145366165

IUPAC1,1,1,3,3-pentafluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)-N-propyl-N-(4,4,4-trifluorobutyl)butan-2-amine
SMILESCCCN(CCCC(F)(F)F)C(C(F)(F)F)C(F)(F)COCC(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C15H19F14NO/c1-2-5-30(6-3-4-13(21,22)23)10(15(27,28)29)12(19,20)8-31-7-11(17,18)9(16)14(24,25)26/h9-10H,2-8H2,1H3
InChIKeyQQJYFULGPLSKHF-UHFFFAOYSA-N
MW495.30 g/mol
LogP6.16
Rot. Bonds12

About 1,1,1,3,3-pentafluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)-N-propyl-N-(4,4,4-trifluorobutyl)butan-2-amine

1,1,1,3,3-pentafluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)-N-propyl-N-(4,4,4-trifluorobutyl)butan-2-amine (PubChem CID 145366165) has the molecular formula C15H19F14NO and a molecular weight of 495.30 g/mol. Its IUPAC name is 1,1,1,3,3-pentafluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)-N-propyl-N-(4,4,4-trifluorobutyl)butan-2-amine.

Molecular Properties

Compound Name1,1,1,3,3-pentafluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)-N-propyl-N-(4,4,4-trifluorobutyl)butan-2-amine
PubChem CID145366165
Molecular FormulaC15H19F14NO
Molecular Weight495.30 g/mol
Exact Mass495.12
IUPAC Name1,1,1,3,3-pentafluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)-N-propyl-N-(4,4,4-trifluorobutyl)butan-2-amine
SMILESCCCN(CCCC(F)(F)F)C(C(F)(F)F)C(F)(F)COCC(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C15H19F14NO/c1-2-5-30(6-3-4-13(21,22)23)10(15(27,28)29)12(19,20)8-31-7-11(17,18)9(16)14(24,25)26/h9-10H,2-8H2,1H3
InChIKeyQQJYFULGPLSKHF-UHFFFAOYSA-N
XLogP6.16
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.30
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3-pentafluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)-N-propyl-N-(4,4,4-trifluorobutyl)butan-2-amine?
The IUPAC name of 1,1,1,3,3-pentafluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)-N-propyl-N-(4,4,4-trifluorobutyl)butan-2-amine (CID 145366165) is 1,1,1,3,3-pentafluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)-N-propyl-N-(4,4,4-trifluorobutyl)butan-2-amine.
What is the SMILES notation for 1,1,1,3,3-pentafluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)-N-propyl-N-(4,4,4-trifluorobutyl)butan-2-amine?
The canonical SMILES for 1,1,1,3,3-pentafluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)-N-propyl-N-(4,4,4-trifluorobutyl)butan-2-amine is CCCN(CCCC(F)(F)F)C(C(F)(F)F)C(F)(F)COCC(F)(F)C(F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3-pentafluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)-N-propyl-N-(4,4,4-trifluorobutyl)butan-2-amine?
The InChIKey is QQJYFULGPLSKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F14NO/c1-2-5-30(6-3-4-13(21,22)23)10(15(27,28)29)12(19,20)8-31-7-11(17,18)9(16)14(24,25)26/h9-10H,2-8H2,1H3.
What are the key properties of 1,1,1,3,3-pentafluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)-N-propyl-N-(4,4,4-trifluorobutyl)butan-2-amine?
1,1,1,3,3-pentafluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)-N-propyl-N-(4,4,4-trifluorobutyl)butan-2-amine has a molecular weight of 495.30 g/mol, XLogP of 6.16, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3-pentafluoro-4-(2,2,3,4,4,4-hexafluorobutoxy)-N-propyl-N-(4,4,4-trifluorobutyl)butan-2-amine is sourced from PubChem (CID 145366165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).