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

C14H26F3NO — CID 66350306

IUPAC2,2-diethyl-N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine
SMILESCCCNC1CC(OC(C)C(F)(F)F)C1(CC)CC
InChIInChI=1S/C14H26F3NO/c1-5-8-18-11-9-12(13(11,6-2)7-3)19-10(4)14(15,16)17/h10-12,18H,5-9H2,1-4H3
InChIKeySVWLDQWGIBOYON-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.90
Rot. Bonds7

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

2,2-diethyl-N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine (PubChem CID 66350306) has the molecular formula C14H26F3NO and a molecular weight of 281.36 g/mol. Its IUPAC name is 2,2-diethyl-N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine.

Molecular Properties

Compound Name2,2-diethyl-N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine
PubChem CID66350306
Molecular FormulaC14H26F3NO
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC Name2,2-diethyl-N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine
SMILESCCCNC1CC(OC(C)C(F)(F)F)C1(CC)CC
InChIInChI=1S/C14H26F3NO/c1-5-8-18-11-9-12(13(11,6-2)7-3)19-10(4)14(15,16)17/h10-12,18H,5-9H2,1-4H3
InChIKeySVWLDQWGIBOYON-UHFFFAOYSA-N
XLogP3.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine?
The IUPAC name of 2,2-diethyl-N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine (CID 66350306) is 2,2-diethyl-N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine.
What is the SMILES notation for 2,2-diethyl-N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine?
The canonical SMILES for 2,2-diethyl-N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine is CCCNC1CC(OC(C)C(F)(F)F)C1(CC)CC.
What is the InChIKey of 2,2-diethyl-N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine?
The InChIKey is SVWLDQWGIBOYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO/c1-5-8-18-11-9-12(13(11,6-2)7-3)19-10(4)14(15,16)17/h10-12,18H,5-9H2,1-4H3.
What are the key properties of 2,2-diethyl-N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine?
2,2-diethyl-N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine has a molecular weight of 281.36 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)cyclobutan-1-amine is sourced from PubChem (CID 66350306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).