1-[2-(difluoromethyl)cyclopropyl]-4-fluorobenzene

C10H9F3 — CID 132609166

IUPAC1-[2-(difluoromethyl)cyclopropyl]-4-fluorobenzene
SMILESFc1ccc(C2CC2C(F)F)cc1
InChIInChI=1S/C10H9F3/c11-7-3-1-6(2-4-7)8-5-9(8)10(12)13/h1-4,8-10H,5H2
InChIKeyWMRXPNGLBSXLOJ-UHFFFAOYSA-N
MW186.18 g/mol
LogP3.19
Rot. Bonds2

About 1-[2-(difluoromethyl)cyclopropyl]-4-fluorobenzene

1-[2-(difluoromethyl)cyclopropyl]-4-fluorobenzene (PubChem CID 132609166) has the molecular formula C10H9F3 and a molecular weight of 186.18 g/mol. Its IUPAC name is 1-[2-(difluoromethyl)cyclopropyl]-4-fluorobenzene.

Molecular Properties

Compound Name1-[2-(difluoromethyl)cyclopropyl]-4-fluorobenzene
PubChem CID132609166
Molecular FormulaC10H9F3
Molecular Weight186.18 g/mol
Exact Mass186.07
IUPAC Name1-[2-(difluoromethyl)cyclopropyl]-4-fluorobenzene
SMILESFc1ccc(C2CC2C(F)F)cc1
InChIInChI=1S/C10H9F3/c11-7-3-1-6(2-4-7)8-5-9(8)10(12)13/h1-4,8-10H,5H2
InChIKeyWMRXPNGLBSXLOJ-UHFFFAOYSA-N
XLogP3.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.18
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethyl)cyclopropyl]-4-fluorobenzene?
The IUPAC name of 1-[2-(difluoromethyl)cyclopropyl]-4-fluorobenzene (CID 132609166) is 1-[2-(difluoromethyl)cyclopropyl]-4-fluorobenzene.
What is the SMILES notation for 1-[2-(difluoromethyl)cyclopropyl]-4-fluorobenzene?
The canonical SMILES for 1-[2-(difluoromethyl)cyclopropyl]-4-fluorobenzene is Fc1ccc(C2CC2C(F)F)cc1.
What is the InChIKey of 1-[2-(difluoromethyl)cyclopropyl]-4-fluorobenzene?
The InChIKey is WMRXPNGLBSXLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3/c11-7-3-1-6(2-4-7)8-5-9(8)10(12)13/h1-4,8-10H,5H2.
What are the key properties of 1-[2-(difluoromethyl)cyclopropyl]-4-fluorobenzene?
1-[2-(difluoromethyl)cyclopropyl]-4-fluorobenzene has a molecular weight of 186.18 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethyl)cyclopropyl]-4-fluorobenzene is sourced from PubChem (CID 132609166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).