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

C10H18F3NO2 — CID 63901855

IUPAC3-[cyclopentyl(2-hydroxyethyl)amino]-1,1,1-trifluoropropan-2-ol
SMILESOCCN(CC(O)C(F)(F)F)C1CCCC1
InChIInChI=1S/C10H18F3NO2/c11-10(12,13)9(16)7-14(5-6-15)8-3-1-2-4-8/h8-9,15-16H,1-7H2
InChIKeyXAONHUGXDMRLCE-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.15
Rot. Bonds5

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

3-[cyclopentyl(2-hydroxyethyl)amino]-1,1,1-trifluoropropan-2-ol (PubChem CID 63901855) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 3-[cyclopentyl(2-hydroxyethyl)amino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[cyclopentyl(2-hydroxyethyl)amino]-1,1,1-trifluoropropan-2-ol
PubChem CID63901855
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name3-[cyclopentyl(2-hydroxyethyl)amino]-1,1,1-trifluoropropan-2-ol
SMILESOCCN(CC(O)C(F)(F)F)C1CCCC1
InChIInChI=1S/C10H18F3NO2/c11-10(12,13)9(16)7-14(5-6-15)8-3-1-2-4-8/h8-9,15-16H,1-7H2
InChIKeyXAONHUGXDMRLCE-UHFFFAOYSA-N
XLogP1.15
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopentyl(2-hydroxyethyl)amino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[cyclopentyl(2-hydroxyethyl)amino]-1,1,1-trifluoropropan-2-ol (CID 63901855) is 3-[cyclopentyl(2-hydroxyethyl)amino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[cyclopentyl(2-hydroxyethyl)amino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[cyclopentyl(2-hydroxyethyl)amino]-1,1,1-trifluoropropan-2-ol is OCCN(CC(O)C(F)(F)F)C1CCCC1.
What is the InChIKey of 3-[cyclopentyl(2-hydroxyethyl)amino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is XAONHUGXDMRLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c11-10(12,13)9(16)7-14(5-6-15)8-3-1-2-4-8/h8-9,15-16H,1-7H2.
What are the key properties of 3-[cyclopentyl(2-hydroxyethyl)amino]-1,1,1-trifluoropropan-2-ol?
3-[cyclopentyl(2-hydroxyethyl)amino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 241.25 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopentyl(2-hydroxyethyl)amino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 63901855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).