1-[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl]-2,3,5,6-tetrafluoro-4-methylbenzene

C17H20F4 — CID 142701797

IUPAC1-[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl]-2,3,5,6-tetrafluoro-4-methylbenzene
SMILESCC(C)=C[C@@H]1[C@@H](Cc2c(F)c(F)c(C)c(F)c2F)C1(C)C
InChIInChI=1S/C17H20F4/c1-8(2)6-11-12(17(11,4)5)7-10-15(20)13(18)9(3)14(19)16(10)21/h6,11-12H,7H2,1-5H3/t11-,12-/m1/s1
InChIKeyGZYIKEFBOBIIHK-VXGBXAGGSA-N
MW300.34 g/mol
LogP5.33
Rot. Bonds3

About 1-[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl]-2,3,5,6-tetrafluoro-4-methylbenzene

1-[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl]-2,3,5,6-tetrafluoro-4-methylbenzene (PubChem CID 142701797) has the molecular formula C17H20F4 and a molecular weight of 300.34 g/mol. Its IUPAC name is 1-[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl]-2,3,5,6-tetrafluoro-4-methylbenzene.

Molecular Properties

Compound Name1-[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl]-2,3,5,6-tetrafluoro-4-methylbenzene
PubChem CID142701797
Molecular FormulaC17H20F4
Molecular Weight300.34 g/mol
Exact Mass300.15
IUPAC Name1-[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl]-2,3,5,6-tetrafluoro-4-methylbenzene
SMILESCC(C)=C[C@@H]1[C@@H](Cc2c(F)c(F)c(C)c(F)c2F)C1(C)C
InChIInChI=1S/C17H20F4/c1-8(2)6-11-12(17(11,4)5)7-10-15(20)13(18)9(3)14(19)16(10)21/h6,11-12H,7H2,1-5H3/t11-,12-/m1/s1
InChIKeyGZYIKEFBOBIIHK-VXGBXAGGSA-N
XLogP5.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.34
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl]-2,3,5,6-tetrafluoro-4-methylbenzene with MolForge

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Related Compounds

1,4-DI-Tert-butyl-2,3,5,6-tetrafluorobenzene
CID 5202429
1,2,3-Trifluoro-5-(trans-4-pentylcyclohexyl)benzene
CID 15176841
2,3-Difluoro-1-(4-pentylcyclohexyl)-4-propylbenzene
CID 19103580
2,3-Difluoro-1-pentyl-4-(4-propylcyclohexyl)benzene
CID 19103585
2,3-Difluoro-1-propyl-4-(4-propylcyclohexyl)benzene
CID 19103623
1,2,3-Trifluoro-5-(4-heptylcyclohexyl)benzene
CID 22131728
1,2,4,5-Tetrafluoro-3,6-bis(prop-2-enyl)benzene
CID 15104114
1,1-Difluoro-2-(4-tert-butylphenyl)cyclopropane
CID 53307445
1-[4-[(1E,3S)-3-ethenyl-3,7-dimethylocta-1,6-dienyl]phenyl]-2,3,4,5,6-pentafluorobenzene
CID 127032242
1-[(E)-dec-2-enyl]-2,3,4,5,6-pentafluorobenzene
CID 101782505
1-(2-Methylcyclopropyl)-4-(trifluoromethyl)benzene
CID 13275083
1-Allyl-2,3,5,6-tetrafluoro-4-methylbenzene
CID 23044323

Frequently Asked Questions

What is the IUPAC name of 1-[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl]-2,3,5,6-tetrafluoro-4-methylbenzene?
The IUPAC name of 1-[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl]-2,3,5,6-tetrafluoro-4-methylbenzene (CID 142701797) is 1-[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl]-2,3,5,6-tetrafluoro-4-methylbenzene.
What is the SMILES notation for 1-[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl]-2,3,5,6-tetrafluoro-4-methylbenzene?
The canonical SMILES for 1-[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl]-2,3,5,6-tetrafluoro-4-methylbenzene is CC(C)=C[C@@H]1[C@@H](Cc2c(F)c(F)c(C)c(F)c2F)C1(C)C.
What is the InChIKey of 1-[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl]-2,3,5,6-tetrafluoro-4-methylbenzene?
The InChIKey is GZYIKEFBOBIIHK-VXGBXAGGSA-N. The full InChI is InChI=1S/C17H20F4/c1-8(2)6-11-12(17(11,4)5)7-10-15(20)13(18)9(3)14(19)16(10)21/h6,11-12H,7H2,1-5H3/t11-,12-/m1/s1.
What are the key properties of 1-[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl]-2,3,5,6-tetrafluoro-4-methylbenzene?
1-[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl]-2,3,5,6-tetrafluoro-4-methylbenzene has a molecular weight of 300.34 g/mol, XLogP of 5.33, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methyl]-2,3,5,6-tetrafluoro-4-methylbenzene is sourced from PubChem (CID 142701797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).