2-methyl-1-(2,2,2-trifluoroethylamino)propan-1-ol

C6H12F3NO — CID 138550004

IUPAC2-methyl-1-(2,2,2-trifluoroethylamino)propan-1-ol
SMILESCC(C)C(O)NCC(F)(F)F
InChIInChI=1S/C6H12F3NO/c1-4(2)5(11)10-3-6(7,8)9/h4-5,10-11H,3H2,1-2H3
InChIKeyMRFNHCMUICHOGP-UHFFFAOYSA-N
MW171.16 g/mol
LogP1.11
Rot. Bonds3

About 2-methyl-1-(2,2,2-trifluoroethylamino)propan-1-ol

2-methyl-1-(2,2,2-trifluoroethylamino)propan-1-ol (PubChem CID 138550004) has the molecular formula C6H12F3NO and a molecular weight of 171.16 g/mol. Its IUPAC name is 2-methyl-1-(2,2,2-trifluoroethylamino)propan-1-ol.

Molecular Properties

Compound Name2-methyl-1-(2,2,2-trifluoroethylamino)propan-1-ol
PubChem CID138550004
Molecular FormulaC6H12F3NO
Molecular Weight171.16 g/mol
Exact Mass171.09
IUPAC Name2-methyl-1-(2,2,2-trifluoroethylamino)propan-1-ol
SMILESCC(C)C(O)NCC(F)(F)F
InChIInChI=1S/C6H12F3NO/c1-4(2)5(11)10-3-6(7,8)9/h4-5,10-11H,3H2,1-2H3
InChIKeyMRFNHCMUICHOGP-UHFFFAOYSA-N
XLogP1.11
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2,2,2-trifluoroethylamino)propan-1-ol?
The IUPAC name of 2-methyl-1-(2,2,2-trifluoroethylamino)propan-1-ol (CID 138550004) is 2-methyl-1-(2,2,2-trifluoroethylamino)propan-1-ol.
What is the SMILES notation for 2-methyl-1-(2,2,2-trifluoroethylamino)propan-1-ol?
The canonical SMILES for 2-methyl-1-(2,2,2-trifluoroethylamino)propan-1-ol is CC(C)C(O)NCC(F)(F)F.
What is the InChIKey of 2-methyl-1-(2,2,2-trifluoroethylamino)propan-1-ol?
The InChIKey is MRFNHCMUICHOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3NO/c1-4(2)5(11)10-3-6(7,8)9/h4-5,10-11H,3H2,1-2H3.
What are the key properties of 2-methyl-1-(2,2,2-trifluoroethylamino)propan-1-ol?
2-methyl-1-(2,2,2-trifluoroethylamino)propan-1-ol has a molecular weight of 171.16 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2,2,2-trifluoroethylamino)propan-1-ol is sourced from PubChem (CID 138550004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).