1-(3-ethoxycyclobutyl)-6,6,6-trifluoro-N-propylhexan-2-amine

C15H28F3NO — CID 103169304

IUPAC1-(3-ethoxycyclobutyl)-6,6,6-trifluoro-N-propylhexan-2-amine
SMILESCCCNC(CCCC(F)(F)F)CC1CC(OCC)C1
InChIInChI=1S/C15H28F3NO/c1-3-8-19-13(6-5-7-15(16,17)18)9-12-10-14(11-12)20-4-2/h12-14,19H,3-11H2,1-2H3
InChIKeyKFYZVDUKVVQIBW-UHFFFAOYSA-N
MW295.39 g/mol
LogP4.29
Rot. Bonds10

About 1-(3-ethoxycyclobutyl)-6,6,6-trifluoro-N-propylhexan-2-amine

1-(3-ethoxycyclobutyl)-6,6,6-trifluoro-N-propylhexan-2-amine (PubChem CID 103169304) has the molecular formula C15H28F3NO and a molecular weight of 295.39 g/mol. Its IUPAC name is 1-(3-ethoxycyclobutyl)-6,6,6-trifluoro-N-propylhexan-2-amine.

Molecular Properties

Compound Name1-(3-ethoxycyclobutyl)-6,6,6-trifluoro-N-propylhexan-2-amine
PubChem CID103169304
Molecular FormulaC15H28F3NO
Molecular Weight295.39 g/mol
Exact Mass295.21
IUPAC Name1-(3-ethoxycyclobutyl)-6,6,6-trifluoro-N-propylhexan-2-amine
SMILESCCCNC(CCCC(F)(F)F)CC1CC(OCC)C1
InChIInChI=1S/C15H28F3NO/c1-3-8-19-13(6-5-7-15(16,17)18)9-12-10-14(11-12)20-4-2/h12-14,19H,3-11H2,1-2H3
InChIKeyKFYZVDUKVVQIBW-UHFFFAOYSA-N
XLogP4.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxycyclobutyl)-6,6,6-trifluoro-N-propylhexan-2-amine?
The IUPAC name of 1-(3-ethoxycyclobutyl)-6,6,6-trifluoro-N-propylhexan-2-amine (CID 103169304) is 1-(3-ethoxycyclobutyl)-6,6,6-trifluoro-N-propylhexan-2-amine.
What is the SMILES notation for 1-(3-ethoxycyclobutyl)-6,6,6-trifluoro-N-propylhexan-2-amine?
The canonical SMILES for 1-(3-ethoxycyclobutyl)-6,6,6-trifluoro-N-propylhexan-2-amine is CCCNC(CCCC(F)(F)F)CC1CC(OCC)C1.
What is the InChIKey of 1-(3-ethoxycyclobutyl)-6,6,6-trifluoro-N-propylhexan-2-amine?
The InChIKey is KFYZVDUKVVQIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F3NO/c1-3-8-19-13(6-5-7-15(16,17)18)9-12-10-14(11-12)20-4-2/h12-14,19H,3-11H2,1-2H3.
What are the key properties of 1-(3-ethoxycyclobutyl)-6,6,6-trifluoro-N-propylhexan-2-amine?
1-(3-ethoxycyclobutyl)-6,6,6-trifluoro-N-propylhexan-2-amine has a molecular weight of 295.39 g/mol, XLogP of 4.29, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxycyclobutyl)-6,6,6-trifluoro-N-propylhexan-2-amine is sourced from PubChem (CID 103169304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).