N-butyl-1-[2-cyclopropyl-4,6-bis(trifluoromethyl)phenyl]methanimine

C16H17F6N — CID 58167766

IUPACN-butyl-1-[2-cyclopropyl-4,6-bis(trifluoromethyl)phenyl]methanimine
SMILESCCCC/N=C/c1c(C2CC2)cc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C16H17F6N/c1-2-3-6-23-9-13-12(10-4-5-10)7-11(15(17,18)19)8-14(13)16(20,21)22/h7-10H,2-6H2,1H3/b23-9+
InChIKeyVYUGMCMCUHJPRQ-NUGSKGIGSA-N
MW337.31 g/mol
LogP5.82
Rot. Bonds5

About N-butyl-1-[2-cyclopropyl-4,6-bis(trifluoromethyl)phenyl]methanimine

N-butyl-1-[2-cyclopropyl-4,6-bis(trifluoromethyl)phenyl]methanimine (PubChem CID 58167766) has the molecular formula C16H17F6N and a molecular weight of 337.31 g/mol. Its IUPAC name is N-butyl-1-[2-cyclopropyl-4,6-bis(trifluoromethyl)phenyl]methanimine.

Molecular Properties

Compound NameN-butyl-1-[2-cyclopropyl-4,6-bis(trifluoromethyl)phenyl]methanimine
PubChem CID58167766
Molecular FormulaC16H17F6N
Molecular Weight337.31 g/mol
Exact Mass337.13
IUPAC NameN-butyl-1-[2-cyclopropyl-4,6-bis(trifluoromethyl)phenyl]methanimine
SMILESCCCC/N=C/c1c(C2CC2)cc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C16H17F6N/c1-2-3-6-23-9-13-12(10-4-5-10)7-11(15(17,18)19)8-14(13)16(20,21)22/h7-10H,2-6H2,1H3/b23-9+
InChIKeyVYUGMCMCUHJPRQ-NUGSKGIGSA-N
XLogP5.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.31
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-1-[2-cyclopropyl-4,6-bis(trifluoromethyl)phenyl]methanimine?
The IUPAC name of N-butyl-1-[2-cyclopropyl-4,6-bis(trifluoromethyl)phenyl]methanimine (CID 58167766) is N-butyl-1-[2-cyclopropyl-4,6-bis(trifluoromethyl)phenyl]methanimine.
What is the SMILES notation for N-butyl-1-[2-cyclopropyl-4,6-bis(trifluoromethyl)phenyl]methanimine?
The canonical SMILES for N-butyl-1-[2-cyclopropyl-4,6-bis(trifluoromethyl)phenyl]methanimine is CCCC/N=C/c1c(C2CC2)cc(C(F)(F)F)cc1C(F)(F)F.
What is the InChIKey of N-butyl-1-[2-cyclopropyl-4,6-bis(trifluoromethyl)phenyl]methanimine?
The InChIKey is VYUGMCMCUHJPRQ-NUGSKGIGSA-N. The full InChI is InChI=1S/C16H17F6N/c1-2-3-6-23-9-13-12(10-4-5-10)7-11(15(17,18)19)8-14(13)16(20,21)22/h7-10H,2-6H2,1H3/b23-9+.
What are the key properties of N-butyl-1-[2-cyclopropyl-4,6-bis(trifluoromethyl)phenyl]methanimine?
N-butyl-1-[2-cyclopropyl-4,6-bis(trifluoromethyl)phenyl]methanimine has a molecular weight of 337.31 g/mol, XLogP of 5.82, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-[2-cyclopropyl-4,6-bis(trifluoromethyl)phenyl]methanimine is sourced from PubChem (CID 58167766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).