N-propan-2-yl-3-(trifluoromethoxy)cyclobutan-1-amine

C8H14F3NO — CID 155138949

IUPACN-propan-2-yl-3-(trifluoromethoxy)cyclobutan-1-amine
SMILESCC(C)NC1CC(OC(F)(F)F)C1
InChIInChI=1S/C8H14F3NO/c1-5(2)12-6-3-7(4-6)13-8(9,10)11/h5-7,12H,3-4H2,1-2H3
InChIKeyNHYSHWIFADUTAA-UHFFFAOYSA-N
MW197.20 g/mol
LogP2.05
Rot. Bonds3

About N-propan-2-yl-3-(trifluoromethoxy)cyclobutan-1-amine

N-propan-2-yl-3-(trifluoromethoxy)cyclobutan-1-amine (PubChem CID 155138949) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is N-propan-2-yl-3-(trifluoromethoxy)cyclobutan-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-3-(trifluoromethoxy)cyclobutan-1-amine
PubChem CID155138949
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC NameN-propan-2-yl-3-(trifluoromethoxy)cyclobutan-1-amine
SMILESCC(C)NC1CC(OC(F)(F)F)C1
InChIInChI=1S/C8H14F3NO/c1-5(2)12-6-3-7(4-6)13-8(9,10)11/h5-7,12H,3-4H2,1-2H3
InChIKeyNHYSHWIFADUTAA-UHFFFAOYSA-N
XLogP2.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-(trifluoromethoxy)cyclobutan-1-amine?
The IUPAC name of N-propan-2-yl-3-(trifluoromethoxy)cyclobutan-1-amine (CID 155138949) is N-propan-2-yl-3-(trifluoromethoxy)cyclobutan-1-amine.
What is the SMILES notation for N-propan-2-yl-3-(trifluoromethoxy)cyclobutan-1-amine?
The canonical SMILES for N-propan-2-yl-3-(trifluoromethoxy)cyclobutan-1-amine is CC(C)NC1CC(OC(F)(F)F)C1.
What is the InChIKey of N-propan-2-yl-3-(trifluoromethoxy)cyclobutan-1-amine?
The InChIKey is NHYSHWIFADUTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-5(2)12-6-3-7(4-6)13-8(9,10)11/h5-7,12H,3-4H2,1-2H3.
What are the key properties of N-propan-2-yl-3-(trifluoromethoxy)cyclobutan-1-amine?
N-propan-2-yl-3-(trifluoromethoxy)cyclobutan-1-amine has a molecular weight of 197.20 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-(trifluoromethoxy)cyclobutan-1-amine is sourced from PubChem (CID 155138949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).