2-fluoro-4-(1-fluorocyclopentyl)-1-methylbenzene

C12H14F2 — CID 161365130

IUPAC2-fluoro-4-(1-fluorocyclopentyl)-1-methylbenzene
SMILESCc1ccc(C2(F)CCCC2)cc1F
InChIInChI=1S/C12H14F2/c1-9-4-5-10(8-11(9)13)12(14)6-2-3-7-12/h4-5,8H,2-3,6-7H2,1H3
InChIKeySRKYTHIBCZQQQJ-UHFFFAOYSA-N
MW196.24 g/mol
LogP3.87
Rot. Bonds1

About 2-fluoro-4-(1-fluorocyclopentyl)-1-methylbenzene

2-fluoro-4-(1-fluorocyclopentyl)-1-methylbenzene (PubChem CID 161365130) has the molecular formula C12H14F2 and a molecular weight of 196.24 g/mol. Its IUPAC name is 2-fluoro-4-(1-fluorocyclopentyl)-1-methylbenzene.

Molecular Properties

Compound Name2-fluoro-4-(1-fluorocyclopentyl)-1-methylbenzene
PubChem CID161365130
Molecular FormulaC12H14F2
Molecular Weight196.24 g/mol
Exact Mass196.11
IUPAC Name2-fluoro-4-(1-fluorocyclopentyl)-1-methylbenzene
SMILESCc1ccc(C2(F)CCCC2)cc1F
InChIInChI=1S/C12H14F2/c1-9-4-5-10(8-11(9)13)12(14)6-2-3-7-12/h4-5,8H,2-3,6-7H2,1H3
InChIKeySRKYTHIBCZQQQJ-UHFFFAOYSA-N
XLogP3.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.24
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(1-fluorocyclopentyl)-1-methylbenzene?
The IUPAC name of 2-fluoro-4-(1-fluorocyclopentyl)-1-methylbenzene (CID 161365130) is 2-fluoro-4-(1-fluorocyclopentyl)-1-methylbenzene.
What is the SMILES notation for 2-fluoro-4-(1-fluorocyclopentyl)-1-methylbenzene?
The canonical SMILES for 2-fluoro-4-(1-fluorocyclopentyl)-1-methylbenzene is Cc1ccc(C2(F)CCCC2)cc1F.
What is the InChIKey of 2-fluoro-4-(1-fluorocyclopentyl)-1-methylbenzene?
The InChIKey is SRKYTHIBCZQQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2/c1-9-4-5-10(8-11(9)13)12(14)6-2-3-7-12/h4-5,8H,2-3,6-7H2,1H3.
What are the key properties of 2-fluoro-4-(1-fluorocyclopentyl)-1-methylbenzene?
2-fluoro-4-(1-fluorocyclopentyl)-1-methylbenzene has a molecular weight of 196.24 g/mol, XLogP of 3.87, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(1-fluorocyclopentyl)-1-methylbenzene is sourced from PubChem (CID 161365130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).