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

C8H14F3NO2 — CID 63899645

IUPAC3-[(2-cyclopropyl-2-hydroxyethyl)amino]-1,1,1-trifluoropropan-2-ol
SMILESOC(CNCC(O)C(F)(F)F)C1CC1
InChIInChI=1S/C8H14F3NO2/c9-8(10,11)7(14)4-12-3-6(13)5-1-2-5/h5-7,12-14H,1-4H2
InChIKeyYEMWOWGLXWUUIS-UHFFFAOYSA-N
MW213.20 g/mol
LogP0.27
Rot. Bonds5

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

3-[(2-cyclopropyl-2-hydroxyethyl)amino]-1,1,1-trifluoropropan-2-ol (PubChem CID 63899645) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 3-[(2-cyclopropyl-2-hydroxyethyl)amino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[(2-cyclopropyl-2-hydroxyethyl)amino]-1,1,1-trifluoropropan-2-ol
PubChem CID63899645
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Name3-[(2-cyclopropyl-2-hydroxyethyl)amino]-1,1,1-trifluoropropan-2-ol
SMILESOC(CNCC(O)C(F)(F)F)C1CC1
InChIInChI=1S/C8H14F3NO2/c9-8(10,11)7(14)4-12-3-6(13)5-1-2-5/h5-7,12-14H,1-4H2
InChIKeyYEMWOWGLXWUUIS-UHFFFAOYSA-N
XLogP0.27
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyclopropyl-2-hydroxyethyl)amino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[(2-cyclopropyl-2-hydroxyethyl)amino]-1,1,1-trifluoropropan-2-ol (CID 63899645) is 3-[(2-cyclopropyl-2-hydroxyethyl)amino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[(2-cyclopropyl-2-hydroxyethyl)amino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[(2-cyclopropyl-2-hydroxyethyl)amino]-1,1,1-trifluoropropan-2-ol is OC(CNCC(O)C(F)(F)F)C1CC1.
What is the InChIKey of 3-[(2-cyclopropyl-2-hydroxyethyl)amino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is YEMWOWGLXWUUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2/c9-8(10,11)7(14)4-12-3-6(13)5-1-2-5/h5-7,12-14H,1-4H2.
What are the key properties of 3-[(2-cyclopropyl-2-hydroxyethyl)amino]-1,1,1-trifluoropropan-2-ol?
3-[(2-cyclopropyl-2-hydroxyethyl)amino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 213.20 g/mol, XLogP of 0.27, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclopropyl-2-hydroxyethyl)amino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 63899645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).