4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(ethylamino)butan-1-ol

C11H21F3N2O — CID 64825295

IUPAC4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(ethylamino)butan-1-ol
SMILESCCNC(CO)CCN(CC(F)(F)F)C1CC1
InChIInChI=1S/C11H21F3N2O/c1-2-15-9(7-17)5-6-16(10-3-4-10)8-11(12,13)14/h9-10,15,17H,2-8H2,1H3
InChIKeyYBTRWRHKYVHSIQ-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.37
Rot. Bonds8

About 4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(ethylamino)butan-1-ol

4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(ethylamino)butan-1-ol (PubChem CID 64825295) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is 4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(ethylamino)butan-1-ol.

Molecular Properties

Compound Name4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(ethylamino)butan-1-ol
PubChem CID64825295
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(ethylamino)butan-1-ol
SMILESCCNC(CO)CCN(CC(F)(F)F)C1CC1
InChIInChI=1S/C11H21F3N2O/c1-2-15-9(7-17)5-6-16(10-3-4-10)8-11(12,13)14/h9-10,15,17H,2-8H2,1H3
InChIKeyYBTRWRHKYVHSIQ-UHFFFAOYSA-N
XLogP1.37
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(ethylamino)butan-1-ol?
The IUPAC name of 4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(ethylamino)butan-1-ol (CID 64825295) is 4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(ethylamino)butan-1-ol.
What is the SMILES notation for 4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(ethylamino)butan-1-ol?
The canonical SMILES for 4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(ethylamino)butan-1-ol is CCNC(CO)CCN(CC(F)(F)F)C1CC1.
What is the InChIKey of 4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(ethylamino)butan-1-ol?
The InChIKey is YBTRWRHKYVHSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-2-15-9(7-17)5-6-16(10-3-4-10)8-11(12,13)14/h9-10,15,17H,2-8H2,1H3.
What are the key properties of 4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(ethylamino)butan-1-ol?
4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(ethylamino)butan-1-ol has a molecular weight of 254.30 g/mol, XLogP of 1.37, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(ethylamino)butan-1-ol is sourced from PubChem (CID 64825295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).