N-[2,6-diethyl-4-(1,1,1,2,3,3-hexafluorobutan-2-yl)phenyl]formamide

C15H17F6NO — CID 135265887

IUPACN-[2,6-diethyl-4-(1,1,1,2,3,3-hexafluorobutan-2-yl)phenyl]formamide
SMILESCCc1cc(C(F)(C(C)(F)F)C(F)(F)F)cc(CC)c1NC=O
InChIInChI=1S/C15H17F6NO/c1-4-9-6-11(7-10(5-2)12(9)22-8-23)14(18,13(3,16)17)15(19,20)21/h6-8H,4-5H2,1-3H3,(H,22,23)
InChIKeyUTGJFGJMOPNIJG-UHFFFAOYSA-N
MW341.30 g/mol
LogP4.76
Rot. Bonds6

About N-[2,6-diethyl-4-(1,1,1,2,3,3-hexafluorobutan-2-yl)phenyl]formamide

N-[2,6-diethyl-4-(1,1,1,2,3,3-hexafluorobutan-2-yl)phenyl]formamide (PubChem CID 135265887) has the molecular formula C15H17F6NO and a molecular weight of 341.30 g/mol. Its IUPAC name is N-[2,6-diethyl-4-(1,1,1,2,3,3-hexafluorobutan-2-yl)phenyl]formamide.

Molecular Properties

Compound NameN-[2,6-diethyl-4-(1,1,1,2,3,3-hexafluorobutan-2-yl)phenyl]formamide
PubChem CID135265887
Molecular FormulaC15H17F6NO
Molecular Weight341.30 g/mol
Exact Mass341.12
IUPAC NameN-[2,6-diethyl-4-(1,1,1,2,3,3-hexafluorobutan-2-yl)phenyl]formamide
SMILESCCc1cc(C(F)(C(C)(F)F)C(F)(F)F)cc(CC)c1NC=O
InChIInChI=1S/C15H17F6NO/c1-4-9-6-11(7-10(5-2)12(9)22-8-23)14(18,13(3,16)17)15(19,20)21/h6-8H,4-5H2,1-3H3,(H,22,23)
InChIKeyUTGJFGJMOPNIJG-UHFFFAOYSA-N
XLogP4.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.30
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2,6-diethyl-4-(1,1,1,2,3,3-hexafluorobutan-2-yl)phenyl]formamide?
The IUPAC name of N-[2,6-diethyl-4-(1,1,1,2,3,3-hexafluorobutan-2-yl)phenyl]formamide (CID 135265887) is N-[2,6-diethyl-4-(1,1,1,2,3,3-hexafluorobutan-2-yl)phenyl]formamide.
What is the SMILES notation for N-[2,6-diethyl-4-(1,1,1,2,3,3-hexafluorobutan-2-yl)phenyl]formamide?
The canonical SMILES for N-[2,6-diethyl-4-(1,1,1,2,3,3-hexafluorobutan-2-yl)phenyl]formamide is CCc1cc(C(F)(C(C)(F)F)C(F)(F)F)cc(CC)c1NC=O.
What is the InChIKey of N-[2,6-diethyl-4-(1,1,1,2,3,3-hexafluorobutan-2-yl)phenyl]formamide?
The InChIKey is UTGJFGJMOPNIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F6NO/c1-4-9-6-11(7-10(5-2)12(9)22-8-23)14(18,13(3,16)17)15(19,20)21/h6-8H,4-5H2,1-3H3,(H,22,23).
What are the key properties of N-[2,6-diethyl-4-(1,1,1,2,3,3-hexafluorobutan-2-yl)phenyl]formamide?
N-[2,6-diethyl-4-(1,1,1,2,3,3-hexafluorobutan-2-yl)phenyl]formamide has a molecular weight of 341.30 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-diethyl-4-(1,1,1,2,3,3-hexafluorobutan-2-yl)phenyl]formamide is sourced from PubChem (CID 135265887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).