1-[cyclopropyl(2,2,2-trifluoroethyl)amino]pentan-2-ol

C10H18F3NO — CID 62044769

IUPAC1-[cyclopropyl(2,2,2-trifluoroethyl)amino]pentan-2-ol
SMILESCCCC(O)CN(CC(F)(F)F)C1CC1
InChIInChI=1S/C10H18F3NO/c1-2-3-9(15)6-14(8-4-5-8)7-10(11,12)13/h8-9,15H,2-7H2,1H3
InChIKeyQNUIMHKNKRQUDQ-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.17
Rot. Bonds6

About 1-[cyclopropyl(2,2,2-trifluoroethyl)amino]pentan-2-ol

1-[cyclopropyl(2,2,2-trifluoroethyl)amino]pentan-2-ol (PubChem CID 62044769) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 1-[cyclopropyl(2,2,2-trifluoroethyl)amino]pentan-2-ol.

Molecular Properties

Compound Name1-[cyclopropyl(2,2,2-trifluoroethyl)amino]pentan-2-ol
PubChem CID62044769
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name1-[cyclopropyl(2,2,2-trifluoroethyl)amino]pentan-2-ol
SMILESCCCC(O)CN(CC(F)(F)F)C1CC1
InChIInChI=1S/C10H18F3NO/c1-2-3-9(15)6-14(8-4-5-8)7-10(11,12)13/h8-9,15H,2-7H2,1H3
InChIKeyQNUIMHKNKRQUDQ-UHFFFAOYSA-N
XLogP2.17
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl(2,2,2-trifluoroethyl)amino]pentan-2-ol?
The IUPAC name of 1-[cyclopropyl(2,2,2-trifluoroethyl)amino]pentan-2-ol (CID 62044769) is 1-[cyclopropyl(2,2,2-trifluoroethyl)amino]pentan-2-ol.
What is the SMILES notation for 1-[cyclopropyl(2,2,2-trifluoroethyl)amino]pentan-2-ol?
The canonical SMILES for 1-[cyclopropyl(2,2,2-trifluoroethyl)amino]pentan-2-ol is CCCC(O)CN(CC(F)(F)F)C1CC1.
What is the InChIKey of 1-[cyclopropyl(2,2,2-trifluoroethyl)amino]pentan-2-ol?
The InChIKey is QNUIMHKNKRQUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-2-3-9(15)6-14(8-4-5-8)7-10(11,12)13/h8-9,15H,2-7H2,1H3.
What are the key properties of 1-[cyclopropyl(2,2,2-trifluoroethyl)amino]pentan-2-ol?
1-[cyclopropyl(2,2,2-trifluoroethyl)amino]pentan-2-ol has a molecular weight of 225.25 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl(2,2,2-trifluoroethyl)amino]pentan-2-ol is sourced from PubChem (CID 62044769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).