1-[(1S)-2,2-difluorocyclopropyl]-4-methylbenzene

C10H10F2 — CID 52630352

IUPAC1-[(1S)-2,2-difluorocyclopropyl]-4-methylbenzene
SMILESCc1ccc([C@@H]2CC2(F)F)cc1
InChIInChI=1S/C10H10F2/c1-7-2-4-8(5-3-7)9-6-10(9,11)12/h2-5,9H,6H2,1H3/t9-/m0/s1
InChIKeyVCYGRUJYOJHIQL-VIFPVBQESA-N
MW168.19 g/mol
LogP3.12
Rot. Bonds1

About 1-[(1S)-2,2-difluorocyclopropyl]-4-methylbenzene

1-[(1S)-2,2-difluorocyclopropyl]-4-methylbenzene (PubChem CID 52630352) has the molecular formula C10H10F2 and a molecular weight of 168.19 g/mol. Its IUPAC name is 1-[(1S)-2,2-difluorocyclopropyl]-4-methylbenzene.

Molecular Properties

Compound Name1-[(1S)-2,2-difluorocyclopropyl]-4-methylbenzene
PubChem CID52630352
Molecular FormulaC10H10F2
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Name1-[(1S)-2,2-difluorocyclopropyl]-4-methylbenzene
SMILESCc1ccc([C@@H]2CC2(F)F)cc1
InChIInChI=1S/C10H10F2/c1-7-2-4-8(5-3-7)9-6-10(9,11)12/h2-5,9H,6H2,1H3/t9-/m0/s1
InChIKeyVCYGRUJYOJHIQL-VIFPVBQESA-N
XLogP3.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(2,2-difluorocyclopropyl)-4-methylbenzene
CID 25210513
1-[(1R)-2,2-dimethylcyclopropyl]-4-methylbenzene
CID 144562671
2-(2,2-difluorocyclopropyl)-1,4-dimethylbenzene
CID 159439039
1-methyl-4-[(1R,2S)-2-[(1R,2S)-2-(4-methylphenyl)-1-nitrocyclopropyl]-2-nitrocyclopropyl]benzene
CID 101168605
platinum;1,4-xylene
CID 173034643
1-cyclopropyl-4-methylbenzene;ethane;methane
CID 164862835
(2,2-difluorocyclopropyl)-(4-methylphenyl)methanone
CID 121222554
2-bromo-1-(2,2-difluorocyclopropyl)-4-methylbenzene
CID 126643978
3,3,4-trifluoro-5-methyl-2-(4-methylphenyl)-1,2-dihydroindene
CID 59658583
2,2-dimethyl-4-(4-methylphenyl)oxetane
CID 12731994
cis-(1R,2S)-2-fluoro-2-(4-methylphenyl)cyclopropan-1-amine;hydrochloride
CID 11217911
1-methyl-4-[(1R,2R)-2-(4-methylphenyl)cyclobutyl]benzene
CID 15556691

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-2,2-difluorocyclopropyl]-4-methylbenzene?
The IUPAC name of 1-[(1S)-2,2-difluorocyclopropyl]-4-methylbenzene (CID 52630352) is 1-[(1S)-2,2-difluorocyclopropyl]-4-methylbenzene.
What is the SMILES notation for 1-[(1S)-2,2-difluorocyclopropyl]-4-methylbenzene?
The canonical SMILES for 1-[(1S)-2,2-difluorocyclopropyl]-4-methylbenzene is Cc1ccc([C@@H]2CC2(F)F)cc1.
What is the InChIKey of 1-[(1S)-2,2-difluorocyclopropyl]-4-methylbenzene?
The InChIKey is VCYGRUJYOJHIQL-VIFPVBQESA-N. The full InChI is InChI=1S/C10H10F2/c1-7-2-4-8(5-3-7)9-6-10(9,11)12/h2-5,9H,6H2,1H3/t9-/m0/s1.
What are the key properties of 1-[(1S)-2,2-difluorocyclopropyl]-4-methylbenzene?
1-[(1S)-2,2-difluorocyclopropyl]-4-methylbenzene has a molecular weight of 168.19 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-2,2-difluorocyclopropyl]-4-methylbenzene is sourced from PubChem (CID 52630352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).