1,2,3,4,5-pentafluoro-6-(3-methylcyclopentyl)benzene

C12H11F5 — CID 162505404

IUPAC1,2,3,4,5-pentafluoro-6-(3-methylcyclopentyl)benzene
SMILESCC1CCC(c2c(F)c(F)c(F)c(F)c2F)C1
InChIInChI=1S/C12H11F5/c1-5-2-3-6(4-5)7-8(13)10(15)12(17)11(16)9(7)14/h5-6H,2-4H2,1H3
InChIKeyAIZRPOJNTSFYGM-UHFFFAOYSA-N
MW250.21 g/mol
LogP4.29
Rot. Bonds1

About 1,2,3,4,5-pentafluoro-6-(3-methylcyclopentyl)benzene

1,2,3,4,5-pentafluoro-6-(3-methylcyclopentyl)benzene (PubChem CID 162505404) has the molecular formula C12H11F5 and a molecular weight of 250.21 g/mol. Its IUPAC name is 1,2,3,4,5-pentafluoro-6-(3-methylcyclopentyl)benzene.

Molecular Properties

Compound Name1,2,3,4,5-pentafluoro-6-(3-methylcyclopentyl)benzene
PubChem CID162505404
Molecular FormulaC12H11F5
Molecular Weight250.21 g/mol
Exact Mass250.08
IUPAC Name1,2,3,4,5-pentafluoro-6-(3-methylcyclopentyl)benzene
SMILESCC1CCC(c2c(F)c(F)c(F)c(F)c2F)C1
InChIInChI=1S/C12H11F5/c1-5-2-3-6(4-5)7-8(13)10(15)12(17)11(16)9(7)14/h5-6H,2-4H2,1H3
InChIKeyAIZRPOJNTSFYGM-UHFFFAOYSA-N
XLogP4.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-2-methyl-5-(3-methylcyclopentyl)pyridine
CID 170760959
4,6-dichloro-5-(4-fluorophenyl)-2-(3-methylcyclopentyl)pyrimidine
CID 79431894
(3R)-1,3-dimethylcyclopentane
CID 13119651
1,3,6,8-tetramethylcyclodecane
CID 162455053
1-tert-butyl-4-(3-methylcyclopentyl)benzene
CID 21137198
(3-methylcyclopentyl)benzene;propane
CID 142973096
5-(chloromethyl)-2-(3-methylcyclopentyl)pyrimidine
CID 65413433
1,3-difluoro-5-(4-methylcyclohexyl)benzene
CID 18720773
hydroxy-[4-(2,3,4,5,6-pentafluorophenyl)cyclohexyl]-di(propan-2-yl)silane
CID 90170308
3-chloro-2-fluoro-4-(4-methylcyclohexyl)aniline
CID 90936295
5,7-difluoro-6-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-propyl-1,2,3,4-tetrahydronaphthalene
CID 139865413
2-fluoro-1,3-dimethyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 134509872

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentafluoro-6-(3-methylcyclopentyl)benzene?
The IUPAC name of 1,2,3,4,5-pentafluoro-6-(3-methylcyclopentyl)benzene (CID 162505404) is 1,2,3,4,5-pentafluoro-6-(3-methylcyclopentyl)benzene.
What is the SMILES notation for 1,2,3,4,5-pentafluoro-6-(3-methylcyclopentyl)benzene?
The canonical SMILES for 1,2,3,4,5-pentafluoro-6-(3-methylcyclopentyl)benzene is CC1CCC(c2c(F)c(F)c(F)c(F)c2F)C1.
What is the InChIKey of 1,2,3,4,5-pentafluoro-6-(3-methylcyclopentyl)benzene?
The InChIKey is AIZRPOJNTSFYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F5/c1-5-2-3-6(4-5)7-8(13)10(15)12(17)11(16)9(7)14/h5-6H,2-4H2,1H3.
What are the key properties of 1,2,3,4,5-pentafluoro-6-(3-methylcyclopentyl)benzene?
1,2,3,4,5-pentafluoro-6-(3-methylcyclopentyl)benzene has a molecular weight of 250.21 g/mol, XLogP of 4.29, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentafluoro-6-(3-methylcyclopentyl)benzene is sourced from PubChem (CID 162505404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).