1-(1,1,2,2,2-pentafluoroethyl)-4-propylbenzene

C11H11F5 — CID 71656112

IUPAC1-(1,1,2,2,2-pentafluoroethyl)-4-propylbenzene
SMILESCCCc1ccc(C(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C11H11F5/c1-2-3-8-4-6-9(7-5-8)10(12,13)11(14,15)16/h4-7H,2-3H2,1H3
InChIKeyOMWVMLZLLHLICL-UHFFFAOYSA-N
MW238.20 g/mol
LogP4.29
Rot. Bonds3

About 1-(1,1,2,2,2-pentafluoroethyl)-4-propylbenzene

1-(1,1,2,2,2-pentafluoroethyl)-4-propylbenzene (PubChem CID 71656112) has the molecular formula C11H11F5 and a molecular weight of 238.20 g/mol. Its IUPAC name is 1-(1,1,2,2,2-pentafluoroethyl)-4-propylbenzene.

Molecular Properties

Compound Name1-(1,1,2,2,2-pentafluoroethyl)-4-propylbenzene
PubChem CID71656112
Molecular FormulaC11H11F5
Molecular Weight238.20 g/mol
Exact Mass238.08
IUPAC Name1-(1,1,2,2,2-pentafluoroethyl)-4-propylbenzene
SMILESCCCc1ccc(C(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C11H11F5/c1-2-3-8-4-6-9(7-5-8)10(12,13)11(14,15)16/h4-7H,2-3H2,1H3
InChIKeyOMWVMLZLLHLICL-UHFFFAOYSA-N
XLogP4.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.20
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-iodo-4-[1,1,2,2-tetrafluoro-2-(4-propylphenyl)ethyl]benzene
CID 139623961
2-fluoro-2-(4-propylphenyl)propanal
CID 105448168
1-[difluoro-(4-pentylphenyl)methyl]-4-propylbenzene
CID 20705616
1,1,1-trifluoro-N-propyl-2-(4-propylphenyl)propan-2-amine
CID 66205585
1-(1,1,2,2,2-pentafluoroethyl)-4-[4-[4-(4-pentylphenyl)cyclohexyl]cyclohexyl]benzene
CID 141052812
3,3-difluoro-N-methyl-3-(4-propylphenyl)propan-1-amine
CID 116838654
3,3-difluoro-3-(4-propylphenyl)propanoic acid
CID 116838337
1-propyl-4-(trimethoxymethyl)benzene
CID 123623052
1-fluoro-4-propylbenzene
CID 2737505
1-propyl-4-(trifluoromethylsulfanyl)benzene
CID 70828854
1-propyl-4-[(4-propylphenyl)methyl]benzene
CID 4064340
2-[2-[3,5-difluoro-4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]ethyl]-1,3-difluoro-5-propylbenzene
CID 139758592

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,2,2-pentafluoroethyl)-4-propylbenzene?
The IUPAC name of 1-(1,1,2,2,2-pentafluoroethyl)-4-propylbenzene (CID 71656112) is 1-(1,1,2,2,2-pentafluoroethyl)-4-propylbenzene.
What is the SMILES notation for 1-(1,1,2,2,2-pentafluoroethyl)-4-propylbenzene?
The canonical SMILES for 1-(1,1,2,2,2-pentafluoroethyl)-4-propylbenzene is CCCc1ccc(C(F)(F)C(F)(F)F)cc1.
What is the InChIKey of 1-(1,1,2,2,2-pentafluoroethyl)-4-propylbenzene?
The InChIKey is OMWVMLZLLHLICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F5/c1-2-3-8-4-6-9(7-5-8)10(12,13)11(14,15)16/h4-7H,2-3H2,1H3.
What are the key properties of 1-(1,1,2,2,2-pentafluoroethyl)-4-propylbenzene?
1-(1,1,2,2,2-pentafluoroethyl)-4-propylbenzene has a molecular weight of 238.20 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,2,2-pentafluoroethyl)-4-propylbenzene is sourced from PubChem (CID 71656112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).