3-[bis(2-hydroxyethyl)amino]-1,1,1-trifluoropropan-2-ol

C7H14F3NO3 — CID 6424971

IUPAC3-[bis(2-hydroxyethyl)amino]-1,1,1-trifluoropropan-2-ol
SMILESOCCN(CCO)CC(O)C(F)(F)F
InChIInChI=1S/C7H14F3NO3/c8-7(9,10)6(14)5-11(1-3-12)2-4-13/h6,12-14H,1-5H2
InChIKeyZDAYXNBIGYQICZ-UHFFFAOYSA-N
MW217.19 g/mol
LogP-0.80
Rot. Bonds6

About 3-[bis(2-hydroxyethyl)amino]-1,1,1-trifluoropropan-2-ol

3-[bis(2-hydroxyethyl)amino]-1,1,1-trifluoropropan-2-ol (PubChem CID 6424971) has the molecular formula C7H14F3NO3 and a molecular weight of 217.19 g/mol. Its IUPAC name is 3-[bis(2-hydroxyethyl)amino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[bis(2-hydroxyethyl)amino]-1,1,1-trifluoropropan-2-ol
PubChem CID6424971
Molecular FormulaC7H14F3NO3
Molecular Weight217.19 g/mol
Exact Mass217.09
IUPAC Name3-[bis(2-hydroxyethyl)amino]-1,1,1-trifluoropropan-2-ol
SMILESOCCN(CCO)CC(O)C(F)(F)F
InChIInChI=1S/C7H14F3NO3/c8-7(9,10)6(14)5-11(1-3-12)2-4-13/h6,12-14H,1-5H2
InChIKeyZDAYXNBIGYQICZ-UHFFFAOYSA-N
XLogP-0.80
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-hydroxyethyl)amino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[bis(2-hydroxyethyl)amino]-1,1,1-trifluoropropan-2-ol (CID 6424971) is 3-[bis(2-hydroxyethyl)amino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[bis(2-hydroxyethyl)amino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[bis(2-hydroxyethyl)amino]-1,1,1-trifluoropropan-2-ol is OCCN(CCO)CC(O)C(F)(F)F.
What is the InChIKey of 3-[bis(2-hydroxyethyl)amino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is ZDAYXNBIGYQICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO3/c8-7(9,10)6(14)5-11(1-3-12)2-4-13/h6,12-14H,1-5H2.
What are the key properties of 3-[bis(2-hydroxyethyl)amino]-1,1,1-trifluoropropan-2-ol?
3-[bis(2-hydroxyethyl)amino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 217.19 g/mol, XLogP of -0.80, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-hydroxyethyl)amino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 6424971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).