N,2-diethyl-2-methyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine

C12H22F3NO — CID 66349871

IUPACN,2-diethyl-2-methyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine
SMILESCCNC1CC(OC(C)C(F)(F)F)C1(C)CC
InChIInChI=1S/C12H22F3NO/c1-5-11(4)9(16-6-2)7-10(11)17-8(3)12(13,14)15/h8-10,16H,5-7H2,1-4H3
InChIKeyQQCQPKLXPYHWQO-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.12
Rot. Bonds5

About N,2-diethyl-2-methyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine

N,2-diethyl-2-methyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine (PubChem CID 66349871) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is N,2-diethyl-2-methyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine.

Molecular Properties

Compound NameN,2-diethyl-2-methyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine
PubChem CID66349871
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC NameN,2-diethyl-2-methyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine
SMILESCCNC1CC(OC(C)C(F)(F)F)C1(C)CC
InChIInChI=1S/C12H22F3NO/c1-5-11(4)9(16-6-2)7-10(11)17-8(3)12(13,14)15/h8-10,16H,5-7H2,1-4H3
InChIKeyQQCQPKLXPYHWQO-UHFFFAOYSA-N
XLogP3.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-2-methyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine?
The IUPAC name of N,2-diethyl-2-methyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine (CID 66349871) is N,2-diethyl-2-methyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine.
What is the SMILES notation for N,2-diethyl-2-methyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine?
The canonical SMILES for N,2-diethyl-2-methyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine is CCNC1CC(OC(C)C(F)(F)F)C1(C)CC.
What is the InChIKey of N,2-diethyl-2-methyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine?
The InChIKey is QQCQPKLXPYHWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-5-11(4)9(16-6-2)7-10(11)17-8(3)12(13,14)15/h8-10,16H,5-7H2,1-4H3.
What are the key properties of N,2-diethyl-2-methyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine?
N,2-diethyl-2-methyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine has a molecular weight of 253.31 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-2-methyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine is sourced from PubChem (CID 66349871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).