3-(benzylamino)-1,1,1-trifluoropropan-2-ol

C10H12F3NO — CID 3787794

IUPAC3-(benzylamino)-1,1,1-trifluoropropan-2-ol
SMILESOC(CNCc1ccccc1)C(F)(F)F
InChIInChI=1S/C10H12F3NO/c11-10(12,13)9(15)7-14-6-8-4-2-1-3-5-8/h1-5,9,14-15H,6-7H2
InChIKeyNKTRJOFXPSASPC-UHFFFAOYSA-N
MW219.21 g/mol
LogP1.70
Rot. Bonds4

About 3-(benzylamino)-1,1,1-trifluoropropan-2-ol

3-(benzylamino)-1,1,1-trifluoropropan-2-ol (PubChem CID 3787794) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is 3-(benzylamino)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-(benzylamino)-1,1,1-trifluoropropan-2-ol
PubChem CID3787794
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name3-(benzylamino)-1,1,1-trifluoropropan-2-ol
SMILESOC(CNCc1ccccc1)C(F)(F)F
InChIInChI=1S/C10H12F3NO/c11-10(12,13)9(15)7-14-6-8-4-2-1-3-5-8/h1-5,9,14-15H,6-7H2
InChIKeyNKTRJOFXPSASPC-UHFFFAOYSA-N
XLogP1.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(benzylamino)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-(benzylamino)-1,1,1-trifluoropropan-2-ol (CID 3787794) is 3-(benzylamino)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-(benzylamino)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-(benzylamino)-1,1,1-trifluoropropan-2-ol is OC(CNCc1ccccc1)C(F)(F)F.
What is the InChIKey of 3-(benzylamino)-1,1,1-trifluoropropan-2-ol?
The InChIKey is NKTRJOFXPSASPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO/c11-10(12,13)9(15)7-14-6-8-4-2-1-3-5-8/h1-5,9,14-15H,6-7H2.
What are the key properties of 3-(benzylamino)-1,1,1-trifluoropropan-2-ol?
3-(benzylamino)-1,1,1-trifluoropropan-2-ol has a molecular weight of 219.21 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylamino)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 3787794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).