N,2,3,4,5,6-hexafluoro-N-propan-2-ylaniline

C9H7F6N — CID 87427327

IUPACN,2,3,4,5,6-hexafluoro-N-propan-2-ylaniline
SMILESCC(C)N(F)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C9H7F6N/c1-3(2)16(15)9-7(13)5(11)4(10)6(12)8(9)14/h3H,1-2H3
InChIKeySVUOYVUGVYDFKF-UHFFFAOYSA-N
MW243.15 g/mol
LogP3.48
Rot. Bonds2

About N,2,3,4,5,6-hexafluoro-N-propan-2-ylaniline

N,2,3,4,5,6-hexafluoro-N-propan-2-ylaniline (PubChem CID 87427327) has the molecular formula C9H7F6N and a molecular weight of 243.15 g/mol. Its IUPAC name is N,2,3,4,5,6-hexafluoro-N-propan-2-ylaniline.

Molecular Properties

Compound NameN,2,3,4,5,6-hexafluoro-N-propan-2-ylaniline
PubChem CID87427327
Molecular FormulaC9H7F6N
Molecular Weight243.15 g/mol
Exact Mass243.05
IUPAC NameN,2,3,4,5,6-hexafluoro-N-propan-2-ylaniline
SMILESCC(C)N(F)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C9H7F6N/c1-3(2)16(15)9-7(13)5(11)4(10)6(12)8(9)14/h3H,1-2H3
InChIKeySVUOYVUGVYDFKF-UHFFFAOYSA-N
XLogP3.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.15
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,2,3,4,5,6-hexafluoro-N-propan-2-ylaniline?
The IUPAC name of N,2,3,4,5,6-hexafluoro-N-propan-2-ylaniline (CID 87427327) is N,2,3,4,5,6-hexafluoro-N-propan-2-ylaniline.
What is the SMILES notation for N,2,3,4,5,6-hexafluoro-N-propan-2-ylaniline?
The canonical SMILES for N,2,3,4,5,6-hexafluoro-N-propan-2-ylaniline is CC(C)N(F)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of N,2,3,4,5,6-hexafluoro-N-propan-2-ylaniline?
The InChIKey is SVUOYVUGVYDFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F6N/c1-3(2)16(15)9-7(13)5(11)4(10)6(12)8(9)14/h3H,1-2H3.
What are the key properties of N,2,3,4,5,6-hexafluoro-N-propan-2-ylaniline?
N,2,3,4,5,6-hexafluoro-N-propan-2-ylaniline has a molecular weight of 243.15 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,3,4,5,6-hexafluoro-N-propan-2-ylaniline is sourced from PubChem (CID 87427327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).