2-(2,2-difluoroethylamino)-2-methylpropan-1-ol

C6H13F2NO — CID 60922930

IUPAC2-(2,2-difluoroethylamino)-2-methylpropan-1-ol
SMILESCC(C)(CO)NCC(F)F
InChIInChI=1S/C6H13F2NO/c1-6(2,4-10)9-3-5(7)8/h5,9-10H,3-4H2,1-2H3
InChIKeyLERAEHOFCPGUHA-UHFFFAOYSA-N
MW153.17 g/mol
LogP0.61
Rot. Bonds4

About 2-(2,2-difluoroethylamino)-2-methylpropan-1-ol

2-(2,2-difluoroethylamino)-2-methylpropan-1-ol (PubChem CID 60922930) has the molecular formula C6H13F2NO and a molecular weight of 153.17 g/mol. Its IUPAC name is 2-(2,2-difluoroethylamino)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(2,2-difluoroethylamino)-2-methylpropan-1-ol
PubChem CID60922930
Molecular FormulaC6H13F2NO
Molecular Weight153.17 g/mol
Exact Mass153.10
IUPAC Name2-(2,2-difluoroethylamino)-2-methylpropan-1-ol
SMILESCC(C)(CO)NCC(F)F
InChIInChI=1S/C6H13F2NO/c1-6(2,4-10)9-3-5(7)8/h5,9-10H,3-4H2,1-2H3
InChIKeyLERAEHOFCPGUHA-UHFFFAOYSA-N
XLogP0.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.17
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethylamino)-2-methylpropan-1-ol?
The IUPAC name of 2-(2,2-difluoroethylamino)-2-methylpropan-1-ol (CID 60922930) is 2-(2,2-difluoroethylamino)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(2,2-difluoroethylamino)-2-methylpropan-1-ol?
The canonical SMILES for 2-(2,2-difluoroethylamino)-2-methylpropan-1-ol is CC(C)(CO)NCC(F)F.
What is the InChIKey of 2-(2,2-difluoroethylamino)-2-methylpropan-1-ol?
The InChIKey is LERAEHOFCPGUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F2NO/c1-6(2,4-10)9-3-5(7)8/h5,9-10H,3-4H2,1-2H3.
What are the key properties of 2-(2,2-difluoroethylamino)-2-methylpropan-1-ol?
2-(2,2-difluoroethylamino)-2-methylpropan-1-ol has a molecular weight of 153.17 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethylamino)-2-methylpropan-1-ol is sourced from PubChem (CID 60922930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).