2-fluoro-5-[(4-methylphenyl)methyl]cyclohepta-1,3,5-triene

C15H15F — CID 123339390

IUPAC2-fluoro-5-[(4-methylphenyl)methyl]cyclohepta-1,3,5-triene
SMILESCc1ccc(CC2=CCC=C(F)C=C2)cc1
InChIInChI=1S/C15H15F/c1-12-5-7-14(8-6-12)11-13-3-2-4-15(16)10-9-13/h3-10H,2,11H2,1H3
InChIKeyZSSDKSMWSXUGJM-UHFFFAOYSA-N
MW214.28 g/mol
LogP4.28
Rot. Bonds2

About 2-fluoro-5-[(4-methylphenyl)methyl]cyclohepta-1,3,5-triene

2-fluoro-5-[(4-methylphenyl)methyl]cyclohepta-1,3,5-triene (PubChem CID 123339390) has the molecular formula C15H15F and a molecular weight of 214.28 g/mol. Its IUPAC name is 2-fluoro-5-[(4-methylphenyl)methyl]cyclohepta-1,3,5-triene.

Molecular Properties

Compound Name2-fluoro-5-[(4-methylphenyl)methyl]cyclohepta-1,3,5-triene
PubChem CID123339390
Molecular FormulaC15H15F
Molecular Weight214.28 g/mol
Exact Mass214.12
IUPAC Name2-fluoro-5-[(4-methylphenyl)methyl]cyclohepta-1,3,5-triene
SMILESCc1ccc(CC2=CCC=C(F)C=C2)cc1
InChIInChI=1S/C15H15F/c1-12-5-7-14(8-6-12)11-13-3-2-4-15(16)10-9-13/h3-10H,2,11H2,1H3
InChIKeyZSSDKSMWSXUGJM-UHFFFAOYSA-N
XLogP4.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.28
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-4-[(4-methylphenyl)methyl]benzene;pentafluoro-λ5-phosphane
CID 91507263
1-methyl-4-[(4-methylphenyl)methyl]benzene;propane;1,4-xylene
CID 161043198
4-(cyclopenta-1,4-dien-1-ylmethyl)-1,2-dimethylbenzene
CID 173472897
1-(cyclopenta-1,4-dien-1-ylmethyl)-4-(trifluoromethyl)benzene
CID 21221920
1-(cyclobuten-1-ylmethyl)-4-methylbenzene
CID 57287069
methane;1-methyl-4-[(4-methylphenyl)methyl]benzene;propane;1,4-xylene
CID 162237370
dimethyl-[4-[(4-methylphenyl)methyl]phenyl]silane
CID 173381996
1,3-difluoro-5-methyl-2-[(4-methylphenyl)methyl]benzene
CID 134273607
1-[(4-ethylphenyl)methyl]-4-[[4-[(4-methylphenyl)methyl]phenyl]methyl]benzene
CID 23525828
2-methyl-5-[[4-(4-methylphenyl)phenyl]methoxy]cyclohepta-1,3,5-triene
CID 143376296
1-[(2,3-difluoro-4-methylphenyl)methyl]-2,3-difluoro-4-[(4-methylphenyl)methyl]benzene
CID 134273625
1,2,3,4-tetrafluoro-5-[(4-methylphenyl)methyl]benzene
CID 89328807

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[(4-methylphenyl)methyl]cyclohepta-1,3,5-triene?
The IUPAC name of 2-fluoro-5-[(4-methylphenyl)methyl]cyclohepta-1,3,5-triene (CID 123339390) is 2-fluoro-5-[(4-methylphenyl)methyl]cyclohepta-1,3,5-triene.
What is the SMILES notation for 2-fluoro-5-[(4-methylphenyl)methyl]cyclohepta-1,3,5-triene?
The canonical SMILES for 2-fluoro-5-[(4-methylphenyl)methyl]cyclohepta-1,3,5-triene is Cc1ccc(CC2=CCC=C(F)C=C2)cc1.
What is the InChIKey of 2-fluoro-5-[(4-methylphenyl)methyl]cyclohepta-1,3,5-triene?
The InChIKey is ZSSDKSMWSXUGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F/c1-12-5-7-14(8-6-12)11-13-3-2-4-15(16)10-9-13/h3-10H,2,11H2,1H3.
What are the key properties of 2-fluoro-5-[(4-methylphenyl)methyl]cyclohepta-1,3,5-triene?
2-fluoro-5-[(4-methylphenyl)methyl]cyclohepta-1,3,5-triene has a molecular weight of 214.28 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[(4-methylphenyl)methyl]cyclohepta-1,3,5-triene is sourced from PubChem (CID 123339390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).