N-(2,2-difluoroethyl)-5-(2,2,4-trimethylcyclobutyl)pentan-2-imine

C14H25F2N — CID 123703567

IUPACN-(2,2-difluoroethyl)-5-(2,2,4-trimethylcyclobutyl)pentan-2-imine
SMILESC/C(CCCC1C(C)CC1(C)C)=N\CC(F)F
InChIInChI=1S/C14H25F2N/c1-10-8-14(3,4)12(10)7-5-6-11(2)17-9-13(15)16/h10,12-13H,5-9H2,1-4H3/b17-11+
InChIKeyLVYGOUDBLZTQGX-GZTJUZNOSA-N
MW245.36 g/mol
LogP4.56
Rot. Bonds6

About N-(2,2-difluoroethyl)-5-(2,2,4-trimethylcyclobutyl)pentan-2-imine

N-(2,2-difluoroethyl)-5-(2,2,4-trimethylcyclobutyl)pentan-2-imine (PubChem CID 123703567) has the molecular formula C14H25F2N and a molecular weight of 245.36 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-5-(2,2,4-trimethylcyclobutyl)pentan-2-imine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-5-(2,2,4-trimethylcyclobutyl)pentan-2-imine
PubChem CID123703567
Molecular FormulaC14H25F2N
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC NameN-(2,2-difluoroethyl)-5-(2,2,4-trimethylcyclobutyl)pentan-2-imine
SMILESC/C(CCCC1C(C)CC1(C)C)=N\CC(F)F
InChIInChI=1S/C14H25F2N/c1-10-8-14(3,4)12(10)7-5-6-11(2)17-9-13(15)16/h10,12-13H,5-9H2,1-4H3/b17-11+
InChIKeyLVYGOUDBLZTQGX-GZTJUZNOSA-N
XLogP4.56
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-5-(2,2,4-trimethylcyclobutyl)pentan-2-imine?
The IUPAC name of N-(2,2-difluoroethyl)-5-(2,2,4-trimethylcyclobutyl)pentan-2-imine (CID 123703567) is N-(2,2-difluoroethyl)-5-(2,2,4-trimethylcyclobutyl)pentan-2-imine.
What is the SMILES notation for N-(2,2-difluoroethyl)-5-(2,2,4-trimethylcyclobutyl)pentan-2-imine?
The canonical SMILES for N-(2,2-difluoroethyl)-5-(2,2,4-trimethylcyclobutyl)pentan-2-imine is C/C(CCCC1C(C)CC1(C)C)=N\CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-5-(2,2,4-trimethylcyclobutyl)pentan-2-imine?
The InChIKey is LVYGOUDBLZTQGX-GZTJUZNOSA-N. The full InChI is InChI=1S/C14H25F2N/c1-10-8-14(3,4)12(10)7-5-6-11(2)17-9-13(15)16/h10,12-13H,5-9H2,1-4H3/b17-11+.
What are the key properties of N-(2,2-difluoroethyl)-5-(2,2,4-trimethylcyclobutyl)pentan-2-imine?
N-(2,2-difluoroethyl)-5-(2,2,4-trimethylcyclobutyl)pentan-2-imine has a molecular weight of 245.36 g/mol, XLogP of 4.56, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-5-(2,2,4-trimethylcyclobutyl)pentan-2-imine is sourced from PubChem (CID 123703567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).