4,4,4-trifluoro-1-(2-methyl-2,3-dihydrofuran-5-yl)butan-1-amine

C9H14F3NO — CID 154550614

IUPAC4,4,4-trifluoro-1-(2-methyl-2,3-dihydrofuran-5-yl)butan-1-amine
SMILESCC1CC=C(C(N)CCC(F)(F)F)O1
InChIInChI=1S/C9H14F3NO/c1-6-2-3-8(14-6)7(13)4-5-9(10,11)12/h3,6-7H,2,4-5,13H2,1H3
InChIKeyWMBKRQSSRITWRU-UHFFFAOYSA-N
MW209.21 g/mol
LogP2.35
Rot. Bonds3

About 4,4,4-trifluoro-1-(2-methyl-2,3-dihydrofuran-5-yl)butan-1-amine

4,4,4-trifluoro-1-(2-methyl-2,3-dihydrofuran-5-yl)butan-1-amine (PubChem CID 154550614) has the molecular formula C9H14F3NO and a molecular weight of 209.21 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(2-methyl-2,3-dihydrofuran-5-yl)butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(2-methyl-2,3-dihydrofuran-5-yl)butan-1-amine
PubChem CID154550614
Molecular FormulaC9H14F3NO
Molecular Weight209.21 g/mol
Exact Mass209.10
IUPAC Name4,4,4-trifluoro-1-(2-methyl-2,3-dihydrofuran-5-yl)butan-1-amine
SMILESCC1CC=C(C(N)CCC(F)(F)F)O1
InChIInChI=1S/C9H14F3NO/c1-6-2-3-8(14-6)7(13)4-5-9(10,11)12/h3,6-7H,2,4-5,13H2,1H3
InChIKeyWMBKRQSSRITWRU-UHFFFAOYSA-N
XLogP2.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-(2-methyl-2,3-dihydrofuran-5-yl)butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-1-(2-methyl-2,3-dihydrofuran-5-yl)butan-1-amine (CID 154550614) is 4,4,4-trifluoro-1-(2-methyl-2,3-dihydrofuran-5-yl)butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-1-(2-methyl-2,3-dihydrofuran-5-yl)butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-1-(2-methyl-2,3-dihydrofuran-5-yl)butan-1-amine is CC1CC=C(C(N)CCC(F)(F)F)O1.
What is the InChIKey of 4,4,4-trifluoro-1-(2-methyl-2,3-dihydrofuran-5-yl)butan-1-amine?
The InChIKey is WMBKRQSSRITWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO/c1-6-2-3-8(14-6)7(13)4-5-9(10,11)12/h3,6-7H,2,4-5,13H2,1H3.
What are the key properties of 4,4,4-trifluoro-1-(2-methyl-2,3-dihydrofuran-5-yl)butan-1-amine?
4,4,4-trifluoro-1-(2-methyl-2,3-dihydrofuran-5-yl)butan-1-amine has a molecular weight of 209.21 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-(2-methyl-2,3-dihydrofuran-5-yl)butan-1-amine is sourced from PubChem (CID 154550614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).