1-[1-(2-fluoropropan-2-yl)cyclopropyl]-3-propan-2-ylbenzene

C15H21F — CID 146290347

IUPAC1-[1-(2-fluoropropan-2-yl)cyclopropyl]-3-propan-2-ylbenzene
SMILESCC(C)c1cccc(C2(C(C)(C)F)CC2)c1
InChIInChI=1S/C15H21F/c1-11(2)12-6-5-7-13(10-12)15(8-9-15)14(3,4)16/h5-7,10-11H,8-9H2,1-4H3
InChIKeyIJTYPIUDYZXAKV-UHFFFAOYSA-N
MW220.33 g/mol
LogP4.59
Rot. Bonds3

About 1-[1-(2-fluoropropan-2-yl)cyclopropyl]-3-propan-2-ylbenzene

1-[1-(2-fluoropropan-2-yl)cyclopropyl]-3-propan-2-ylbenzene (PubChem CID 146290347) has the molecular formula C15H21F and a molecular weight of 220.33 g/mol. Its IUPAC name is 1-[1-(2-fluoropropan-2-yl)cyclopropyl]-3-propan-2-ylbenzene.

Molecular Properties

Compound Name1-[1-(2-fluoropropan-2-yl)cyclopropyl]-3-propan-2-ylbenzene
PubChem CID146290347
Molecular FormulaC15H21F
Molecular Weight220.33 g/mol
Exact Mass220.16
IUPAC Name1-[1-(2-fluoropropan-2-yl)cyclopropyl]-3-propan-2-ylbenzene
SMILESCC(C)c1cccc(C2(C(C)(C)F)CC2)c1
InChIInChI=1S/C15H21F/c1-11(2)12-6-5-7-13(10-12)15(8-9-15)14(3,4)16/h5-7,10-11H,8-9H2,1-4H3
InChIKeyIJTYPIUDYZXAKV-UHFFFAOYSA-N
XLogP4.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.33
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

8-tert-butyl-8-(3-propan-2-ylphenyl)-1,4-dioxaspiro[4.5]decane
CID 59692125
1-(3-propan-2-ylphenyl)cyclopropan-1-amine
CID 55268959
1-(3-propan-2-ylphenyl)cyclobutan-1-amine
CID 82603155
1-(3-propan-2-ylphenyl)cyclobutan-1-ol
CID 170997587
1-[1-(1,1-difluoroethyl)cyclopropyl]-4-propan-2-ylbenzene
CID 146290350
1-[3-(1-fluoroethyl)phenyl]cyclopropan-1-ol
CID 117278395
N-methyl-3-[1-(trifluoromethyl)cyclopropyl]aniline
CID 172602253
1,1-difluoro-2-methyl-1-(3-propan-2-ylphenyl)propan-2-ol
CID 164919043
1-[1-[3-(difluoromethyl)phenyl]cyclopropyl]ethanamine
CID 117301569
1-bromo-3-[1-(trifluoromethyl)cyclopropyl]benzene
CID 86277431
3,3-dimethyl-4-(3-propan-2-ylphenyl)piperidin-4-ol
CID 174505137
1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;ethane
CID 158231247

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluoropropan-2-yl)cyclopropyl]-3-propan-2-ylbenzene?
The IUPAC name of 1-[1-(2-fluoropropan-2-yl)cyclopropyl]-3-propan-2-ylbenzene (CID 146290347) is 1-[1-(2-fluoropropan-2-yl)cyclopropyl]-3-propan-2-ylbenzene.
What is the SMILES notation for 1-[1-(2-fluoropropan-2-yl)cyclopropyl]-3-propan-2-ylbenzene?
The canonical SMILES for 1-[1-(2-fluoropropan-2-yl)cyclopropyl]-3-propan-2-ylbenzene is CC(C)c1cccc(C2(C(C)(C)F)CC2)c1.
What is the InChIKey of 1-[1-(2-fluoropropan-2-yl)cyclopropyl]-3-propan-2-ylbenzene?
The InChIKey is IJTYPIUDYZXAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F/c1-11(2)12-6-5-7-13(10-12)15(8-9-15)14(3,4)16/h5-7,10-11H,8-9H2,1-4H3.
What are the key properties of 1-[1-(2-fluoropropan-2-yl)cyclopropyl]-3-propan-2-ylbenzene?
1-[1-(2-fluoropropan-2-yl)cyclopropyl]-3-propan-2-ylbenzene has a molecular weight of 220.33 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluoropropan-2-yl)cyclopropyl]-3-propan-2-ylbenzene is sourced from PubChem (CID 146290347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).