1-cyclopentyl-3-(2,2,2-trifluoroethylamino)propan-2-ol

C10H18F3NO — CID 103157182

IUPAC1-cyclopentyl-3-(2,2,2-trifluoroethylamino)propan-2-ol
SMILESOC(CNCC(F)(F)F)CC1CCCC1
InChIInChI=1S/C10H18F3NO/c11-10(12,13)7-14-6-9(15)5-8-3-1-2-4-8/h8-9,14-15H,1-7H2
InChIKeySMKOMJFLPQEBAN-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.08
Rot. Bonds5

About 1-cyclopentyl-3-(2,2,2-trifluoroethylamino)propan-2-ol

1-cyclopentyl-3-(2,2,2-trifluoroethylamino)propan-2-ol (PubChem CID 103157182) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 1-cyclopentyl-3-(2,2,2-trifluoroethylamino)propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyl-3-(2,2,2-trifluoroethylamino)propan-2-ol
PubChem CID103157182
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name1-cyclopentyl-3-(2,2,2-trifluoroethylamino)propan-2-ol
SMILESOC(CNCC(F)(F)F)CC1CCCC1
InChIInChI=1S/C10H18F3NO/c11-10(12,13)7-14-6-9(15)5-8-3-1-2-4-8/h8-9,14-15H,1-7H2
InChIKeySMKOMJFLPQEBAN-UHFFFAOYSA-N
XLogP2.08
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyloxy-3-(2,2,2-trifluoroethylamino)propan-2-ol
CID 60632425
1-cyclopentyl-3-(2,3,3-trimethylbutylamino)propan-2-ol
CID 103158223
1-cyclopentyl-3-(3-hydroxypropylamino)propan-2-ol
CID 103157277
3-[[(3-cyclopentyl-2-hydroxypropyl)amino]methyl]cyclobutan-1-ol
CID 103157965
1-cyclopentyl-3-hydrazinylpropan-2-ol
CID 103156923
1-(but-3-enylamino)-3-cyclopentylpropan-2-ol
CID 103158305
2-[(3-cyclopentyl-2-hydroxypropyl)amino]-N-methylacetamide
CID 103157245
1-cyclopentyl-3-(2-propan-2-yloxyethylamino)propan-2-ol
CID 103158287
2-(cyclopentylmethylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 63119998
1-cyclopentyl-3-(2-piperidin-1-ylethylamino)propan-2-ol
CID 103157548
1-cyclopentyl-3-[3-(dimethylamino)propylamino]propan-2-ol
CID 103157144
1-cyclopentyl-3-[(2-methylcyclopentyl)methylamino]propan-2-ol
CID 107418138

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(2,2,2-trifluoroethylamino)propan-2-ol?
The IUPAC name of 1-cyclopentyl-3-(2,2,2-trifluoroethylamino)propan-2-ol (CID 103157182) is 1-cyclopentyl-3-(2,2,2-trifluoroethylamino)propan-2-ol.
What is the SMILES notation for 1-cyclopentyl-3-(2,2,2-trifluoroethylamino)propan-2-ol?
The canonical SMILES for 1-cyclopentyl-3-(2,2,2-trifluoroethylamino)propan-2-ol is OC(CNCC(F)(F)F)CC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(2,2,2-trifluoroethylamino)propan-2-ol?
The InChIKey is SMKOMJFLPQEBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c11-10(12,13)7-14-6-9(15)5-8-3-1-2-4-8/h8-9,14-15H,1-7H2.
What are the key properties of 1-cyclopentyl-3-(2,2,2-trifluoroethylamino)propan-2-ol?
1-cyclopentyl-3-(2,2,2-trifluoroethylamino)propan-2-ol has a molecular weight of 225.25 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(2,2,2-trifluoroethylamino)propan-2-ol is sourced from PubChem (CID 103157182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).