N,2,2-trimethyl-3-[2-(trifluoromethoxy)phenyl]cyclobutan-1-amine

C14H18F3NO — CID 81417703

IUPACN,2,2-trimethyl-3-[2-(trifluoromethoxy)phenyl]cyclobutan-1-amine
SMILESCNC1CC(c2ccccc2OC(F)(F)F)C1(C)C
InChIInChI=1S/C14H18F3NO/c1-13(2)10(8-12(13)18-3)9-6-4-5-7-11(9)19-14(15,16)17/h4-7,10,12,18H,8H2,1-3H3
InChIKeyQKWFJNJSSAXIIT-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.69
Rot. Bonds3

About N,2,2-trimethyl-3-[2-(trifluoromethoxy)phenyl]cyclobutan-1-amine

N,2,2-trimethyl-3-[2-(trifluoromethoxy)phenyl]cyclobutan-1-amine (PubChem CID 81417703) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is N,2,2-trimethyl-3-[2-(trifluoromethoxy)phenyl]cyclobutan-1-amine.

Molecular Properties

Compound NameN,2,2-trimethyl-3-[2-(trifluoromethoxy)phenyl]cyclobutan-1-amine
PubChem CID81417703
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC NameN,2,2-trimethyl-3-[2-(trifluoromethoxy)phenyl]cyclobutan-1-amine
SMILESCNC1CC(c2ccccc2OC(F)(F)F)C1(C)C
InChIInChI=1S/C14H18F3NO/c1-13(2)10(8-12(13)18-3)9-6-4-5-7-11(9)19-14(15,16)17/h4-7,10,12,18H,8H2,1-3H3
InChIKeyQKWFJNJSSAXIIT-UHFFFAOYSA-N
XLogP3.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-3-[2-(trifluoromethoxy)phenyl]cyclobutan-1-amine?
The IUPAC name of N,2,2-trimethyl-3-[2-(trifluoromethoxy)phenyl]cyclobutan-1-amine (CID 81417703) is N,2,2-trimethyl-3-[2-(trifluoromethoxy)phenyl]cyclobutan-1-amine.
What is the SMILES notation for N,2,2-trimethyl-3-[2-(trifluoromethoxy)phenyl]cyclobutan-1-amine?
The canonical SMILES for N,2,2-trimethyl-3-[2-(trifluoromethoxy)phenyl]cyclobutan-1-amine is CNC1CC(c2ccccc2OC(F)(F)F)C1(C)C.
What is the InChIKey of N,2,2-trimethyl-3-[2-(trifluoromethoxy)phenyl]cyclobutan-1-amine?
The InChIKey is QKWFJNJSSAXIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c1-13(2)10(8-12(13)18-3)9-6-4-5-7-11(9)19-14(15,16)17/h4-7,10,12,18H,8H2,1-3H3.
What are the key properties of N,2,2-trimethyl-3-[2-(trifluoromethoxy)phenyl]cyclobutan-1-amine?
N,2,2-trimethyl-3-[2-(trifluoromethoxy)phenyl]cyclobutan-1-amine has a molecular weight of 273.30 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-3-[2-(trifluoromethoxy)phenyl]cyclobutan-1-amine is sourced from PubChem (CID 81417703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).