3-(propylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol

C10H20F3NO2 — CID 66276308

IUPAC3-(propylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol
SMILESCCCNC(CCO)COC(C)C(F)(F)F
InChIInChI=1S/C10H20F3NO2/c1-3-5-14-9(4-6-15)7-16-8(2)10(11,12)13/h8-9,14-15H,3-7H2,1-2H3
InChIKeyYNDMBEAJOXNMJM-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.70
Rot. Bonds8

About 3-(propylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol

3-(propylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol (PubChem CID 66276308) has the molecular formula C10H20F3NO2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 3-(propylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol.

Molecular Properties

Compound Name3-(propylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol
PubChem CID66276308
Molecular FormulaC10H20F3NO2
Molecular Weight243.27 g/mol
Exact Mass243.14
IUPAC Name3-(propylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol
SMILESCCCNC(CCO)COC(C)C(F)(F)F
InChIInChI=1S/C10H20F3NO2/c1-3-5-14-9(4-6-15)7-16-8(2)10(11,12)13/h8-9,14-15H,3-7H2,1-2H3
InChIKeyYNDMBEAJOXNMJM-UHFFFAOYSA-N
XLogP1.70
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(propylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(propylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol?
The IUPAC name of 3-(propylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol (CID 66276308) is 3-(propylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol.
What is the SMILES notation for 3-(propylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol?
The canonical SMILES for 3-(propylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol is CCCNC(CCO)COC(C)C(F)(F)F.
What is the InChIKey of 3-(propylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol?
The InChIKey is YNDMBEAJOXNMJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO2/c1-3-5-14-9(4-6-15)7-16-8(2)10(11,12)13/h8-9,14-15H,3-7H2,1-2H3.
What are the key properties of 3-(propylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol?
3-(propylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol has a molecular weight of 243.27 g/mol, XLogP of 1.70, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butan-1-ol is sourced from PubChem (CID 66276308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).