1-[(1S)-3,3-difluorocyclopentyl]-4-propan-2-ylbenzene

C14H18F2 — CID 59166669

IUPAC1-[(1S)-3,3-difluorocyclopentyl]-4-propan-2-ylbenzene
SMILESCC(C)c1ccc([C@H]2CCC(F)(F)C2)cc1
InChIInChI=1S/C14H18F2/c1-10(2)11-3-5-12(6-4-11)13-7-8-14(15,16)9-13/h3-6,10,13H,7-9H2,1-2H3/t13-/m0/s1
InChIKeyYPIZIXJOMPJUAF-ZDUSSCGKSA-N
MW224.29 g/mol
LogP4.71
Rot. Bonds2

About 1-[(1S)-3,3-difluorocyclopentyl]-4-propan-2-ylbenzene

1-[(1S)-3,3-difluorocyclopentyl]-4-propan-2-ylbenzene (PubChem CID 59166669) has the molecular formula C14H18F2 and a molecular weight of 224.29 g/mol. Its IUPAC name is 1-[(1S)-3,3-difluorocyclopentyl]-4-propan-2-ylbenzene.

Molecular Properties

Compound Name1-[(1S)-3,3-difluorocyclopentyl]-4-propan-2-ylbenzene
PubChem CID59166669
Molecular FormulaC14H18F2
Molecular Weight224.29 g/mol
Exact Mass224.14
IUPAC Name1-[(1S)-3,3-difluorocyclopentyl]-4-propan-2-ylbenzene
SMILESCC(C)c1ccc([C@H]2CCC(F)(F)C2)cc1
InChIInChI=1S/C14H18F2/c1-10(2)11-3-5-12(6-4-11)13-7-8-14(15,16)9-13/h3-6,10,13H,7-9H2,1-2H3/t13-/m0/s1
InChIKeyYPIZIXJOMPJUAF-ZDUSSCGKSA-N
XLogP4.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.29
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-3,3-difluorocyclopentyl]-4-propan-2-ylbenzene?
The IUPAC name of 1-[(1S)-3,3-difluorocyclopentyl]-4-propan-2-ylbenzene (CID 59166669) is 1-[(1S)-3,3-difluorocyclopentyl]-4-propan-2-ylbenzene.
What is the SMILES notation for 1-[(1S)-3,3-difluorocyclopentyl]-4-propan-2-ylbenzene?
The canonical SMILES for 1-[(1S)-3,3-difluorocyclopentyl]-4-propan-2-ylbenzene is CC(C)c1ccc([C@H]2CCC(F)(F)C2)cc1.
What is the InChIKey of 1-[(1S)-3,3-difluorocyclopentyl]-4-propan-2-ylbenzene?
The InChIKey is YPIZIXJOMPJUAF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H18F2/c1-10(2)11-3-5-12(6-4-11)13-7-8-14(15,16)9-13/h3-6,10,13H,7-9H2,1-2H3/t13-/m0/s1.
What are the key properties of 1-[(1S)-3,3-difluorocyclopentyl]-4-propan-2-ylbenzene?
1-[(1S)-3,3-difluorocyclopentyl]-4-propan-2-ylbenzene has a molecular weight of 224.29 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-3,3-difluorocyclopentyl]-4-propan-2-ylbenzene is sourced from PubChem (CID 59166669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).