3-amino-2-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride

C9H10Cl2F3NO — CID 47002645

IUPAC3-amino-2-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride
SMILESCl.NCC(O)(c1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C9H9ClF3NO.ClH/c10-7-3-1-6(2-4-7)8(15,5-14)9(11,12)13;/h1-4,15H,5,14H2;1H
InChIKeyBFIJEORGSJQZLY-UHFFFAOYSA-N
MW276.09 g/mol
LogP2.47
Rot. Bonds2

About 3-amino-2-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride

3-amino-2-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride (PubChem CID 47002645) has the molecular formula C9H10Cl2F3NO and a molecular weight of 276.09 g/mol. Its IUPAC name is 3-amino-2-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride.

Molecular Properties

Compound Name3-amino-2-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride
PubChem CID47002645
Molecular FormulaC9H10Cl2F3NO
Molecular Weight276.09 g/mol
Exact Mass275.01
IUPAC Name3-amino-2-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride
SMILESCl.NCC(O)(c1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C9H9ClF3NO.ClH/c10-7-3-1-6(2-4-7)8(15,5-14)9(11,12)13;/h1-4,15H,5,14H2;1H
InChIKeyBFIJEORGSJQZLY-UHFFFAOYSA-N
XLogP2.47
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.09
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride?
The IUPAC name of 3-amino-2-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride (CID 47002645) is 3-amino-2-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride.
What is the SMILES notation for 3-amino-2-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride?
The canonical SMILES for 3-amino-2-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride is Cl.NCC(O)(c1ccc(Cl)cc1)C(F)(F)F.
What is the InChIKey of 3-amino-2-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride?
The InChIKey is BFIJEORGSJQZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3NO.ClH/c10-7-3-1-6(2-4-7)8(15,5-14)9(11,12)13;/h1-4,15H,5,14H2;1H.
What are the key properties of 3-amino-2-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride?
3-amino-2-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride has a molecular weight of 276.09 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol;hydrochloride is sourced from PubChem (CID 47002645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).