(1S)-4,4,4-trifluoro-1-(furan-3-yl)butan-1-amine;hydrochloride

C8H11ClF3NO — CID 171231940

IUPAC(1S)-4,4,4-trifluoro-1-(furan-3-yl)butan-1-amine;hydrochloride
SMILESCl.N[C@@H](CCC(F)(F)F)c1ccoc1
InChIInChI=1S/C8H10F3NO.ClH/c9-8(10,11)3-1-7(12)6-2-4-13-5-6;/h2,4-5,7H,1,3,12H2;1H/t7-;/m0./s1
InChIKeyCFIBEIFIFFAVCH-FJXQXJEOSA-N
MW229.63 g/mol
LogP3.04
Rot. Bonds3

About (1S)-4,4,4-trifluoro-1-(furan-3-yl)butan-1-amine;hydrochloride

(1S)-4,4,4-trifluoro-1-(furan-3-yl)butan-1-amine;hydrochloride (PubChem CID 171231940) has the molecular formula C8H11ClF3NO and a molecular weight of 229.63 g/mol. Its IUPAC name is (1S)-4,4,4-trifluoro-1-(furan-3-yl)butan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-4,4,4-trifluoro-1-(furan-3-yl)butan-1-amine;hydrochloride
PubChem CID171231940
Molecular FormulaC8H11ClF3NO
Molecular Weight229.63 g/mol
Exact Mass229.05
IUPAC Name(1S)-4,4,4-trifluoro-1-(furan-3-yl)butan-1-amine;hydrochloride
SMILESCl.N[C@@H](CCC(F)(F)F)c1ccoc1
InChIInChI=1S/C8H10F3NO.ClH/c9-8(10,11)3-1-7(12)6-2-4-13-5-6;/h2,4-5,7H,1,3,12H2;1H/t7-;/m0./s1
InChIKeyCFIBEIFIFFAVCH-FJXQXJEOSA-N
XLogP3.04
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.63
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S)-4,4,4-trifluoro-1-(furan-3-yl)butan-1-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S)-4,4,4-trifluoro-1-(furan-3-yl)butan-1-amine;hydrochloride?
The IUPAC name of (1S)-4,4,4-trifluoro-1-(furan-3-yl)butan-1-amine;hydrochloride (CID 171231940) is (1S)-4,4,4-trifluoro-1-(furan-3-yl)butan-1-amine;hydrochloride.
What is the SMILES notation for (1S)-4,4,4-trifluoro-1-(furan-3-yl)butan-1-amine;hydrochloride?
The canonical SMILES for (1S)-4,4,4-trifluoro-1-(furan-3-yl)butan-1-amine;hydrochloride is Cl.N[C@@H](CCC(F)(F)F)c1ccoc1.
What is the InChIKey of (1S)-4,4,4-trifluoro-1-(furan-3-yl)butan-1-amine;hydrochloride?
The InChIKey is CFIBEIFIFFAVCH-FJXQXJEOSA-N. The full InChI is InChI=1S/C8H10F3NO.ClH/c9-8(10,11)3-1-7(12)6-2-4-13-5-6;/h2,4-5,7H,1,3,12H2;1H/t7-;/m0./s1.
What are the key properties of (1S)-4,4,4-trifluoro-1-(furan-3-yl)butan-1-amine;hydrochloride?
(1S)-4,4,4-trifluoro-1-(furan-3-yl)butan-1-amine;hydrochloride has a molecular weight of 229.63 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-4,4,4-trifluoro-1-(furan-3-yl)butan-1-amine;hydrochloride is sourced from PubChem (CID 171231940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).