1-fluoro-3-[1-(2-fluoropropan-2-yl)cyclopropyl]benzene

C12H14F2 — CID 84720738

IUPAC1-fluoro-3-[1-(2-fluoropropan-2-yl)cyclopropyl]benzene
SMILESCC(C)(F)C1(c2cccc(F)c2)CC1
InChIInChI=1S/C12H14F2/c1-11(2,14)12(6-7-12)9-4-3-5-10(13)8-9/h3-5,8H,6-7H2,1-2H3
InChIKeyYPSWHGVICDIMFX-UHFFFAOYSA-N
MW196.24 g/mol
LogP3.61
Rot. Bonds2

About 1-fluoro-3-[1-(2-fluoropropan-2-yl)cyclopropyl]benzene

1-fluoro-3-[1-(2-fluoropropan-2-yl)cyclopropyl]benzene (PubChem CID 84720738) has the molecular formula C12H14F2 and a molecular weight of 196.24 g/mol. Its IUPAC name is 1-fluoro-3-[1-(2-fluoropropan-2-yl)cyclopropyl]benzene.

Molecular Properties

Compound Name1-fluoro-3-[1-(2-fluoropropan-2-yl)cyclopropyl]benzene
PubChem CID84720738
Molecular FormulaC12H14F2
Molecular Weight196.24 g/mol
Exact Mass196.11
IUPAC Name1-fluoro-3-[1-(2-fluoropropan-2-yl)cyclopropyl]benzene
SMILESCC(C)(F)C1(c2cccc(F)c2)CC1
InChIInChI=1S/C12H14F2/c1-11(2,14)12(6-7-12)9-4-3-5-10(13)8-9/h3-5,8H,6-7H2,1-2H3
InChIKeyYPSWHGVICDIMFX-UHFFFAOYSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.24
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-[1-(2-fluoropropan-2-yl)cyclopropyl]benzene?
The IUPAC name of 1-fluoro-3-[1-(2-fluoropropan-2-yl)cyclopropyl]benzene (CID 84720738) is 1-fluoro-3-[1-(2-fluoropropan-2-yl)cyclopropyl]benzene.
What is the SMILES notation for 1-fluoro-3-[1-(2-fluoropropan-2-yl)cyclopropyl]benzene?
The canonical SMILES for 1-fluoro-3-[1-(2-fluoropropan-2-yl)cyclopropyl]benzene is CC(C)(F)C1(c2cccc(F)c2)CC1.
What is the InChIKey of 1-fluoro-3-[1-(2-fluoropropan-2-yl)cyclopropyl]benzene?
The InChIKey is YPSWHGVICDIMFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2/c1-11(2,14)12(6-7-12)9-4-3-5-10(13)8-9/h3-5,8H,6-7H2,1-2H3.
What are the key properties of 1-fluoro-3-[1-(2-fluoropropan-2-yl)cyclopropyl]benzene?
1-fluoro-3-[1-(2-fluoropropan-2-yl)cyclopropyl]benzene has a molecular weight of 196.24 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-[1-(2-fluoropropan-2-yl)cyclopropyl]benzene is sourced from PubChem (CID 84720738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).