[(1S)-1-[(1R)-2,2-difluorocyclopentyl]-2-phenylmethoxyethoxy]methylbenzene

C21H24F2O2 — CID 135018182

IUPAC[(1S)-1-[(1R)-2,2-difluorocyclopentyl]-2-phenylmethoxyethoxy]methylbenzene
SMILESFC1(F)CCC[C@@H]1[C@@H](COCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C21H24F2O2/c22-21(23)13-7-12-19(21)20(25-15-18-10-5-2-6-11-18)16-24-14-17-8-3-1-4-9-17/h1-6,8-11,19-20H,7,12-16H2/t19-,20-/m1/s1
InChIKeyIDMCDAUQZMBXJA-WOJBJXKFSA-N
MW346.42 g/mol
LogP5.22
Rot. Bonds8

About [(1S)-1-[(1R)-2,2-difluorocyclopentyl]-2-phenylmethoxyethoxy]methylbenzene

[(1S)-1-[(1R)-2,2-difluorocyclopentyl]-2-phenylmethoxyethoxy]methylbenzene (PubChem CID 135018182) has the molecular formula C21H24F2O2 and a molecular weight of 346.42 g/mol. Its IUPAC name is [(1S)-1-[(1R)-2,2-difluorocyclopentyl]-2-phenylmethoxyethoxy]methylbenzene.

Molecular Properties

Compound Name[(1S)-1-[(1R)-2,2-difluorocyclopentyl]-2-phenylmethoxyethoxy]methylbenzene
PubChem CID135018182
Molecular FormulaC21H24F2O2
Molecular Weight346.42 g/mol
Exact Mass346.17
IUPAC Name[(1S)-1-[(1R)-2,2-difluorocyclopentyl]-2-phenylmethoxyethoxy]methylbenzene
SMILESFC1(F)CCC[C@@H]1[C@@H](COCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C21H24F2O2/c22-21(23)13-7-12-19(21)20(25-15-18-10-5-2-6-11-18)16-24-14-17-8-3-1-4-9-17/h1-6,8-11,19-20H,7,12-16H2/t19-,20-/m1/s1
InChIKeyIDMCDAUQZMBXJA-WOJBJXKFSA-N
XLogP5.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.42
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,5R)-1-benzyl-3-[(1S)-1,2-bis(phenylmethoxy)ethyl]-4,4-difluoro-5-phenylmethoxypiperidine
CID 102480294
(2R)-2-[(1S)-2-[(4-methoxyphenyl)methoxy]-1-phenylmethoxyethyl]oxirane
CID 140633194
2,2,2-trifluoro-1-[(4R,5S,7R)-7-(2-hydroxyethyl)-4-[(2R)-1-phenylmethoxypropan-2-yl]-6-azaspiro[4.5]decan-6-yl]ethanone
CID 11475856
(2R,3S,4R)-1-benzyl-2-[(1S)-1,2-bis(phenylmethoxy)ethyl]pyrrolidine-3,4-diol
CID 134865977
1-cyclopentyl-2-phenylmethoxyethanamine;hydrochloride
CID 67701372
(3aR,5S,6aR)-5-[(1R)-1,2-bis(phenylmethoxy)ethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
CID 69191047
(2S)-2-[(2R)-1-cyclohexyl-3,3-dimethylaziridin-2-yl]-2-phenylmethoxyethanol
CID 134984757
(2S,3R,4R,5R)-5-[(1R)-1,2-bis(phenylmethoxy)ethyl]-2,4-bis(phenylmethoxy)oxolan-3-ol
CID 102374527
1-[(2R,3R)-3-[(1R)-1,2-bis(phenylmethoxy)ethyl]-6,6-dimethyl-1,4-dioxan-2-yl]-2-phenylmethoxyethanol
CID 102600615
[(1S,2R,3R)-1-[(1S)-1,2-bis(phenylmethoxy)ethyl]-2,3,4-tris(phenylmethoxy)butoxy]methylbenzene
CID 99647470
[1-[2,3-bis(phenylmethoxy)propoxymethoxy]-3-phenylmethoxypropan-2-yl]oxymethylbenzene
CID 57272060
5-[1,2-bis(phenylmethoxy)ethyl]-3-propan-2-yloxolan-2-one
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Frequently Asked Questions

What is the IUPAC name of [(1S)-1-[(1R)-2,2-difluorocyclopentyl]-2-phenylmethoxyethoxy]methylbenzene?
The IUPAC name of [(1S)-1-[(1R)-2,2-difluorocyclopentyl]-2-phenylmethoxyethoxy]methylbenzene (CID 135018182) is [(1S)-1-[(1R)-2,2-difluorocyclopentyl]-2-phenylmethoxyethoxy]methylbenzene.
What is the SMILES notation for [(1S)-1-[(1R)-2,2-difluorocyclopentyl]-2-phenylmethoxyethoxy]methylbenzene?
The canonical SMILES for [(1S)-1-[(1R)-2,2-difluorocyclopentyl]-2-phenylmethoxyethoxy]methylbenzene is FC1(F)CCC[C@@H]1[C@@H](COCc1ccccc1)OCc1ccccc1.
What is the InChIKey of [(1S)-1-[(1R)-2,2-difluorocyclopentyl]-2-phenylmethoxyethoxy]methylbenzene?
The InChIKey is IDMCDAUQZMBXJA-WOJBJXKFSA-N. The full InChI is InChI=1S/C21H24F2O2/c22-21(23)13-7-12-19(21)20(25-15-18-10-5-2-6-11-18)16-24-14-17-8-3-1-4-9-17/h1-6,8-11,19-20H,7,12-16H2/t19-,20-/m1/s1.
What are the key properties of [(1S)-1-[(1R)-2,2-difluorocyclopentyl]-2-phenylmethoxyethoxy]methylbenzene?
[(1S)-1-[(1R)-2,2-difluorocyclopentyl]-2-phenylmethoxyethoxy]methylbenzene has a molecular weight of 346.42 g/mol, XLogP of 5.22, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-[(1R)-2,2-difluorocyclopentyl]-2-phenylmethoxyethoxy]methylbenzene is sourced from PubChem (CID 135018182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).