4-[methyl(2,2,2-trifluoroethyl)amino]-3-(propylamino)butan-1-ol

C10H21F3N2O — CID 64898164

IUPAC4-[methyl(2,2,2-trifluoroethyl)amino]-3-(propylamino)butan-1-ol
SMILESCCCNC(CCO)CN(C)CC(F)(F)F
InChIInChI=1S/C10H21F3N2O/c1-3-5-14-9(4-6-16)7-15(2)8-10(11,12)13/h9,14,16H,3-8H2,1-2H3
InChIKeyAOKGBCAVAVDVRC-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.23
Rot. Bonds8

About 4-[methyl(2,2,2-trifluoroethyl)amino]-3-(propylamino)butan-1-ol

4-[methyl(2,2,2-trifluoroethyl)amino]-3-(propylamino)butan-1-ol (PubChem CID 64898164) has the molecular formula C10H21F3N2O and a molecular weight of 242.28 g/mol. Its IUPAC name is 4-[methyl(2,2,2-trifluoroethyl)amino]-3-(propylamino)butan-1-ol.

Molecular Properties

Compound Name4-[methyl(2,2,2-trifluoroethyl)amino]-3-(propylamino)butan-1-ol
PubChem CID64898164
Molecular FormulaC10H21F3N2O
Molecular Weight242.28 g/mol
Exact Mass242.16
IUPAC Name4-[methyl(2,2,2-trifluoroethyl)amino]-3-(propylamino)butan-1-ol
SMILESCCCNC(CCO)CN(C)CC(F)(F)F
InChIInChI=1S/C10H21F3N2O/c1-3-5-14-9(4-6-16)7-15(2)8-10(11,12)13/h9,14,16H,3-8H2,1-2H3
InChIKeyAOKGBCAVAVDVRC-UHFFFAOYSA-N
XLogP1.23
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl(2,2,2-trifluoroethyl)amino]-3-(propylamino)butan-1-ol?
The IUPAC name of 4-[methyl(2,2,2-trifluoroethyl)amino]-3-(propylamino)butan-1-ol (CID 64898164) is 4-[methyl(2,2,2-trifluoroethyl)amino]-3-(propylamino)butan-1-ol.
What is the SMILES notation for 4-[methyl(2,2,2-trifluoroethyl)amino]-3-(propylamino)butan-1-ol?
The canonical SMILES for 4-[methyl(2,2,2-trifluoroethyl)amino]-3-(propylamino)butan-1-ol is CCCNC(CCO)CN(C)CC(F)(F)F.
What is the InChIKey of 4-[methyl(2,2,2-trifluoroethyl)amino]-3-(propylamino)butan-1-ol?
The InChIKey is AOKGBCAVAVDVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F3N2O/c1-3-5-14-9(4-6-16)7-15(2)8-10(11,12)13/h9,14,16H,3-8H2,1-2H3.
What are the key properties of 4-[methyl(2,2,2-trifluoroethyl)amino]-3-(propylamino)butan-1-ol?
4-[methyl(2,2,2-trifluoroethyl)amino]-3-(propylamino)butan-1-ol has a molecular weight of 242.28 g/mol, XLogP of 1.23, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(2,2,2-trifluoroethyl)amino]-3-(propylamino)butan-1-ol is sourced from PubChem (CID 64898164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).