1-(2,3-dihydrofuran-5-yl)-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine

C11H15F6NO — CID 103312386

IUPAC1-(2,3-dihydrofuran-5-yl)-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine
SMILESCCCNC(C1=CCCO1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H15F6NO/c1-2-5-18-8(7-4-3-6-19-7)9(10(12,13)14)11(15,16)17/h4,8-9,18H,2-3,5-6H2,1H3
InChIKeyHOFCJEFZDDJOOW-UHFFFAOYSA-N
MW291.24 g/mol
LogP3.40
Rot. Bonds5

About 1-(2,3-dihydrofuran-5-yl)-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine

1-(2,3-dihydrofuran-5-yl)-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine (PubChem CID 103312386) has the molecular formula C11H15F6NO and a molecular weight of 291.24 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-5-yl)-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-5-yl)-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine
PubChem CID103312386
Molecular FormulaC11H15F6NO
Molecular Weight291.24 g/mol
Exact Mass291.11
IUPAC Name1-(2,3-dihydrofuran-5-yl)-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine
SMILESCCCNC(C1=CCCO1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H15F6NO/c1-2-5-18-8(7-4-3-6-19-7)9(10(12,13)14)11(15,16)17/h4,8-9,18H,2-3,5-6H2,1H3
InChIKeyHOFCJEFZDDJOOW-UHFFFAOYSA-N
XLogP3.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.24
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrofuran-5-yl)-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine?
The IUPAC name of 1-(2,3-dihydrofuran-5-yl)-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine (CID 103312386) is 1-(2,3-dihydrofuran-5-yl)-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine.
What is the SMILES notation for 1-(2,3-dihydrofuran-5-yl)-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine?
The canonical SMILES for 1-(2,3-dihydrofuran-5-yl)-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine is CCCNC(C1=CCCO1)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-(2,3-dihydrofuran-5-yl)-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine?
The InChIKey is HOFCJEFZDDJOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F6NO/c1-2-5-18-8(7-4-3-6-19-7)9(10(12,13)14)11(15,16)17/h4,8-9,18H,2-3,5-6H2,1H3.
What are the key properties of 1-(2,3-dihydrofuran-5-yl)-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine?
1-(2,3-dihydrofuran-5-yl)-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine has a molecular weight of 291.24 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydrofuran-5-yl)-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine is sourced from PubChem (CID 103312386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).