3-[(5-chlorofuran-2-yl)methylamino]-1,1,1-trifluoropropan-2-ol;hydrochloride

C8H10Cl2F3NO2 — CID 115592466

IUPAC3-[(5-chlorofuran-2-yl)methylamino]-1,1,1-trifluoropropan-2-ol;hydrochloride
SMILESCl.OC(CNCc1ccc(Cl)o1)C(F)(F)F
InChIInChI=1S/C8H9ClF3NO2.ClH/c9-7-2-1-5(15-7)3-13-4-6(14)8(10,11)12;/h1-2,6,13-14H,3-4H2;1H
InChIKeyNSFASJLKEHXOQV-UHFFFAOYSA-N
MW280.07 g/mol
LogP2.37
Rot. Bonds4

About 3-[(5-chlorofuran-2-yl)methylamino]-1,1,1-trifluoropropan-2-ol;hydrochloride

3-[(5-chlorofuran-2-yl)methylamino]-1,1,1-trifluoropropan-2-ol;hydrochloride (PubChem CID 115592466) has the molecular formula C8H10Cl2F3NO2 and a molecular weight of 280.07 g/mol. Its IUPAC name is 3-[(5-chlorofuran-2-yl)methylamino]-1,1,1-trifluoropropan-2-ol;hydrochloride.

Molecular Properties

Compound Name3-[(5-chlorofuran-2-yl)methylamino]-1,1,1-trifluoropropan-2-ol;hydrochloride
PubChem CID115592466
Molecular FormulaC8H10Cl2F3NO2
Molecular Weight280.07 g/mol
Exact Mass279.00
IUPAC Name3-[(5-chlorofuran-2-yl)methylamino]-1,1,1-trifluoropropan-2-ol;hydrochloride
SMILESCl.OC(CNCc1ccc(Cl)o1)C(F)(F)F
InChIInChI=1S/C8H9ClF3NO2.ClH/c9-7-2-1-5(15-7)3-13-4-6(14)8(10,11)12;/h1-2,6,13-14H,3-4H2;1H
InChIKeyNSFASJLKEHXOQV-UHFFFAOYSA-N
XLogP2.37
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.07
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-chlorofuran-2-yl)methylamino]-1,1,1-trifluoropropan-2-ol;hydrochloride?
The IUPAC name of 3-[(5-chlorofuran-2-yl)methylamino]-1,1,1-trifluoropropan-2-ol;hydrochloride (CID 115592466) is 3-[(5-chlorofuran-2-yl)methylamino]-1,1,1-trifluoropropan-2-ol;hydrochloride.
What is the SMILES notation for 3-[(5-chlorofuran-2-yl)methylamino]-1,1,1-trifluoropropan-2-ol;hydrochloride?
The canonical SMILES for 3-[(5-chlorofuran-2-yl)methylamino]-1,1,1-trifluoropropan-2-ol;hydrochloride is Cl.OC(CNCc1ccc(Cl)o1)C(F)(F)F.
What is the InChIKey of 3-[(5-chlorofuran-2-yl)methylamino]-1,1,1-trifluoropropan-2-ol;hydrochloride?
The InChIKey is NSFASJLKEHXOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF3NO2.ClH/c9-7-2-1-5(15-7)3-13-4-6(14)8(10,11)12;/h1-2,6,13-14H,3-4H2;1H.
What are the key properties of 3-[(5-chlorofuran-2-yl)methylamino]-1,1,1-trifluoropropan-2-ol;hydrochloride?
3-[(5-chlorofuran-2-yl)methylamino]-1,1,1-trifluoropropan-2-ol;hydrochloride has a molecular weight of 280.07 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chlorofuran-2-yl)methylamino]-1,1,1-trifluoropropan-2-ol;hydrochloride is sourced from PubChem (CID 115592466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).