1-[1-(difluoromethyl)cyclopentyl]-4-fluorobenzene

C12H13F3 — CID 84723635

IUPAC1-[1-(difluoromethyl)cyclopentyl]-4-fluorobenzene
SMILESFc1ccc(C2(C(F)F)CCCC2)cc1
InChIInChI=1S/C12H13F3/c13-10-5-3-9(4-6-10)12(11(14)15)7-1-2-8-12/h3-6,11H,1-2,7-8H2
InChIKeyKOFUDENEEICJHE-UHFFFAOYSA-N
MW214.23 g/mol
LogP3.90
Rot. Bonds2

About 1-[1-(difluoromethyl)cyclopentyl]-4-fluorobenzene

1-[1-(difluoromethyl)cyclopentyl]-4-fluorobenzene (PubChem CID 84723635) has the molecular formula C12H13F3 and a molecular weight of 214.23 g/mol. Its IUPAC name is 1-[1-(difluoromethyl)cyclopentyl]-4-fluorobenzene.

Molecular Properties

Compound Name1-[1-(difluoromethyl)cyclopentyl]-4-fluorobenzene
PubChem CID84723635
Molecular FormulaC12H13F3
Molecular Weight214.23 g/mol
Exact Mass214.10
IUPAC Name1-[1-(difluoromethyl)cyclopentyl]-4-fluorobenzene
SMILESFc1ccc(C2(C(F)F)CCCC2)cc1
InChIInChI=1S/C12H13F3/c13-10-5-3-9(4-6-10)12(11(14)15)7-1-2-8-12/h3-6,11H,1-2,7-8H2
InChIKeyKOFUDENEEICJHE-UHFFFAOYSA-N
XLogP3.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-chloro-4-[1-(difluoromethyl)cyclohexyl]benzene
CID 84728475
1-[1-(difluoromethyl)cyclohexyl]-3-fluorobenzene
CID 84726019
4-[1-(difluoromethyl)cyclopropyl]phenol
CID 84718814
(4-fluorophenyl)-(1-phenylcyclohexyl)methanamine
CID 63417721
azane;1-fluoro-4-(1-methylcyclopentyl)benzene
CID 174449315
2-(4-fluorophenyl)spiro[3.4]octan-2-amine
CID 65002671
1-(1-ethenylcyclohexyl)-4-fluorobenzene
CID 141324071
cis-(1R,4S)-1,4-bis(4-fluorophenyl)cycloheptane-1,4-diol
CID 101158460
[1-(4-fluorophenyl)cyclopropyl]phosphane
CID 176989179
1,4-bis(4-fluorophenyl)cyclohexane-1,4-diol
CID 10709619
N-[1-(4-fluorophenyl)cyclopentyl]acetamide
CID 71936960
1-[amino-(4-fluorophenyl)methyl]cyclopentan-1-ol
CID 121281031

Frequently Asked Questions

What is the IUPAC name of 1-[1-(difluoromethyl)cyclopentyl]-4-fluorobenzene?
The IUPAC name of 1-[1-(difluoromethyl)cyclopentyl]-4-fluorobenzene (CID 84723635) is 1-[1-(difluoromethyl)cyclopentyl]-4-fluorobenzene.
What is the SMILES notation for 1-[1-(difluoromethyl)cyclopentyl]-4-fluorobenzene?
The canonical SMILES for 1-[1-(difluoromethyl)cyclopentyl]-4-fluorobenzene is Fc1ccc(C2(C(F)F)CCCC2)cc1.
What is the InChIKey of 1-[1-(difluoromethyl)cyclopentyl]-4-fluorobenzene?
The InChIKey is KOFUDENEEICJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3/c13-10-5-3-9(4-6-10)12(11(14)15)7-1-2-8-12/h3-6,11H,1-2,7-8H2.
What are the key properties of 1-[1-(difluoromethyl)cyclopentyl]-4-fluorobenzene?
1-[1-(difluoromethyl)cyclopentyl]-4-fluorobenzene has a molecular weight of 214.23 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(difluoromethyl)cyclopentyl]-4-fluorobenzene is sourced from PubChem (CID 84723635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).