1,1,1-trifluoro-2-(furan-2-yl)-N-propylbutan-2-amine

C11H16F3NO — CID 66206204

IUPAC1,1,1-trifluoro-2-(furan-2-yl)-N-propylbutan-2-amine
SMILESCCCNC(CC)(c1ccco1)C(F)(F)F
InChIInChI=1S/C11H16F3NO/c1-3-7-15-10(4-2,11(12,13)14)9-6-5-8-16-9/h5-6,8,15H,3-4,7H2,1-2H3
InChIKeyCHAWRLONIFXRBG-UHFFFAOYSA-N
MW235.25 g/mol
LogP3.45
Rot. Bonds5

About 1,1,1-trifluoro-2-(furan-2-yl)-N-propylbutan-2-amine

1,1,1-trifluoro-2-(furan-2-yl)-N-propylbutan-2-amine (PubChem CID 66206204) has the molecular formula C11H16F3NO and a molecular weight of 235.25 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(furan-2-yl)-N-propylbutan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(furan-2-yl)-N-propylbutan-2-amine
PubChem CID66206204
Molecular FormulaC11H16F3NO
Molecular Weight235.25 g/mol
Exact Mass235.12
IUPAC Name1,1,1-trifluoro-2-(furan-2-yl)-N-propylbutan-2-amine
SMILESCCCNC(CC)(c1ccco1)C(F)(F)F
InChIInChI=1S/C11H16F3NO/c1-3-7-15-10(4-2,11(12,13)14)9-6-5-8-16-9/h5-6,8,15H,3-4,7H2,1-2H3
InChIKeyCHAWRLONIFXRBG-UHFFFAOYSA-N
XLogP3.45
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(furan-2-yl)-N-propylbutan-2-amine?
The IUPAC name of 1,1,1-trifluoro-2-(furan-2-yl)-N-propylbutan-2-amine (CID 66206204) is 1,1,1-trifluoro-2-(furan-2-yl)-N-propylbutan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-2-(furan-2-yl)-N-propylbutan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-2-(furan-2-yl)-N-propylbutan-2-amine is CCCNC(CC)(c1ccco1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-(furan-2-yl)-N-propylbutan-2-amine?
The InChIKey is CHAWRLONIFXRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO/c1-3-7-15-10(4-2,11(12,13)14)9-6-5-8-16-9/h5-6,8,15H,3-4,7H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-2-(furan-2-yl)-N-propylbutan-2-amine?
1,1,1-trifluoro-2-(furan-2-yl)-N-propylbutan-2-amine has a molecular weight of 235.25 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(furan-2-yl)-N-propylbutan-2-amine is sourced from PubChem (CID 66206204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).