1-cyclopentyloxy-3-(2,3,4-trifluoroanilino)propan-2-ol

C14H18F3NO2 — CID 60898837

IUPAC1-cyclopentyloxy-3-(2,3,4-trifluoroanilino)propan-2-ol
SMILESOC(CNc1ccc(F)c(F)c1F)COC1CCCC1
InChIInChI=1S/C14H18F3NO2/c15-11-5-6-12(14(17)13(11)16)18-7-9(19)8-20-10-3-1-2-4-10/h5-6,9-10,18-19H,1-4,7-8H2
InChIKeyQDMCDPULAMFFSH-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.84
Rot. Bonds6

About 1-cyclopentyloxy-3-(2,3,4-trifluoroanilino)propan-2-ol

1-cyclopentyloxy-3-(2,3,4-trifluoroanilino)propan-2-ol (PubChem CID 60898837) has the molecular formula C14H18F3NO2 and a molecular weight of 289.30 g/mol. Its IUPAC name is 1-cyclopentyloxy-3-(2,3,4-trifluoroanilino)propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyloxy-3-(2,3,4-trifluoroanilino)propan-2-ol
PubChem CID60898837
Molecular FormulaC14H18F3NO2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC Name1-cyclopentyloxy-3-(2,3,4-trifluoroanilino)propan-2-ol
SMILESOC(CNc1ccc(F)c(F)c1F)COC1CCCC1
InChIInChI=1S/C14H18F3NO2/c15-11-5-6-12(14(17)13(11)16)18-7-9(19)8-20-10-3-1-2-4-10/h5-6,9-10,18-19H,1-4,7-8H2
InChIKeyQDMCDPULAMFFSH-UHFFFAOYSA-N
XLogP2.84
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-cyclopentyloxy-3-(2-methylsulfanylanilino)propan-2-ol
CID 107644598
1-cyclopentyloxy-3-(3-fluoroanilino)propan-2-ol
CID 60897752
1-(4-chloro-3-fluoroanilino)-3-cyclohexyloxypropan-2-ol
CID 61466824
2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]benzonitrile
CID 60896826
1-(2-chloro-5-methylanilino)-3-cyclopentyloxypropan-2-ol
CID 107634536
1-(5-bromo-2-chloroanilino)-3-cyclopentyloxypropan-2-ol
CID 62913594
1-cyclopentyloxy-3-[4-(difluoromethoxy)anilino]propan-2-ol
CID 60900625
1-(2-chloro-4,6-difluoroanilino)-3-cyclohexyloxypropan-2-ol
CID 83073637
1-(2,4-difluoroanilino)-3-(2-methylcyclohexyl)oxypropan-2-ol
CID 60901056
1-[(3-chloro-4-fluorophenyl)methylamino]-3-cyclohexyloxypropan-2-ol
CID 62538630
1-cyclopentyloxy-3-(2,4,6-tribromoanilino)propan-2-ol
CID 63488175
1-cyclopentyloxy-3-(2,3-dihydro-1H-inden-5-ylamino)propan-2-ol
CID 60898492

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyloxy-3-(2,3,4-trifluoroanilino)propan-2-ol?
The IUPAC name of 1-cyclopentyloxy-3-(2,3,4-trifluoroanilino)propan-2-ol (CID 60898837) is 1-cyclopentyloxy-3-(2,3,4-trifluoroanilino)propan-2-ol.
What is the SMILES notation for 1-cyclopentyloxy-3-(2,3,4-trifluoroanilino)propan-2-ol?
The canonical SMILES for 1-cyclopentyloxy-3-(2,3,4-trifluoroanilino)propan-2-ol is OC(CNc1ccc(F)c(F)c1F)COC1CCCC1.
What is the InChIKey of 1-cyclopentyloxy-3-(2,3,4-trifluoroanilino)propan-2-ol?
The InChIKey is QDMCDPULAMFFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO2/c15-11-5-6-12(14(17)13(11)16)18-7-9(19)8-20-10-3-1-2-4-10/h5-6,9-10,18-19H,1-4,7-8H2.
What are the key properties of 1-cyclopentyloxy-3-(2,3,4-trifluoroanilino)propan-2-ol?
1-cyclopentyloxy-3-(2,3,4-trifluoroanilino)propan-2-ol has a molecular weight of 289.30 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyloxy-3-(2,3,4-trifluoroanilino)propan-2-ol is sourced from PubChem (CID 60898837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).