2-[(dimethylamino)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

C6H9F6NO — CID 12988234

IUPAC2-[(dimethylamino)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCN(C)CC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H9F6NO/c1-13(2)3-4(14,5(7,8)9)6(10,11)12/h14H,3H2,1-2H3
InChIKeySVAKWUMEWDAZSM-UHFFFAOYSA-N
MW225.13 g/mol
LogP1.40
Rot. Bonds2

About 2-[(dimethylamino)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

2-[(dimethylamino)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 12988234) has the molecular formula C6H9F6NO and a molecular weight of 225.13 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID12988234
Molecular FormulaC6H9F6NO
Molecular Weight225.13 g/mol
Exact Mass225.06
IUPAC Name2-[(dimethylamino)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCN(C)CC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H9F6NO/c1-13(2)3-4(14,5(7,8)9)6(10,11)12/h14H,3H2,1-2H3
InChIKeySVAKWUMEWDAZSM-UHFFFAOYSA-N
XLogP1.40
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.13
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-[(dimethylamino)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 12988234) is 2-[(dimethylamino)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-[(dimethylamino)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-[(dimethylamino)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is CN(C)CC(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[(dimethylamino)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is SVAKWUMEWDAZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F6NO/c1-13(2)3-4(14,5(7,8)9)6(10,11)12/h14H,3H2,1-2H3.
What are the key properties of 2-[(dimethylamino)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-[(dimethylamino)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 225.13 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 12988234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).