5-fluoro-1,3,7-trimethylphenanthrene

C17H15F — CID 59121353

IUPAC5-fluoro-1,3,7-trimethylphenanthrene
SMILESCc1cc(F)c2c(ccc3c(C)cc(C)cc32)c1
InChIInChI=1S/C17H15F/c1-10-6-12(3)14-5-4-13-7-11(2)9-16(18)17(13)15(14)8-10/h4-9H,1-3H3
InChIKeyGGGQLNFLOLQGGL-UHFFFAOYSA-N
MW238.30 g/mol
LogP5.06
Rot. Bonds

About 5-fluoro-1,3,7-trimethylphenanthrene

5-fluoro-1,3,7-trimethylphenanthrene (PubChem CID 59121353) has the molecular formula C17H15F and a molecular weight of 238.30 g/mol. Its IUPAC name is 5-fluoro-1,3,7-trimethylphenanthrene.

Molecular Properties

Compound Name5-fluoro-1,3,7-trimethylphenanthrene
PubChem CID59121353
Molecular FormulaC17H15F
Molecular Weight238.30 g/mol
Exact Mass238.12
IUPAC Name5-fluoro-1,3,7-trimethylphenanthrene
SMILESCc1cc(F)c2c(ccc3c(C)cc(C)cc32)c1
InChIInChI=1S/C17H15F/c1-10-6-12(3)14-5-4-13-7-11(2)9-16(18)17(13)15(14)8-10/h4-9H,1-3H3
InChIKeyGGGQLNFLOLQGGL-UHFFFAOYSA-N
XLogP5.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.30
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1,8-difluoro-3-methylnaphthalene
CID 138605074
ethane;1,3,6-trimethylnaphthalene
CID 91186069
1,3-difluoro-2,6-dimethylnaphthalene;1-fluoro-2,6-dimethylnaphthalene;1,3,8-trifluoro-2,6-dimethylnaphthalene
CID 159577339
2,9,10-trimethylperylene
CID 58193405
7-chloro-1-fluoro-3-methylnaphthalene
CID 58839538
4-methyloctacyclo[12.12.2.12,6.115,19.011,27.024,28.010,30.023,29]triaconta-1(26),2,4,6(30),7,9,11(27),12,14(28),15,17,19(29),20,22,24-pentadecaene
CID 101455015
1,3-difluoro-2,6-dimethylnaphthalene;1,3,8-trifluoro-2,6-dimethylnaphthalene
CID 159450283
2-methylperylene;3-methylperylene
CID 157412879
8-bromo-1,2-difluoro-6-methylnaphthalene
CID 174273019
5,7-dimethylnaphthalen-1-ol
CID 599056
1,3,5,10-tetramethylanthracene
CID 163863681
5,18-bis(2,4,6-trimethylphenyl)tetradecacyclo[23.15.1.14,36.06,35.09,34.012,33.014,31.017,30.019,28.022,27.026,39.029,38.032,37.040,42]dotetraconta-1(40),2,4,6(35),7,9(34),10,12,14(31),15,17,19(28),20,22(27),23,25(41),26(39),29,32,36(42),37-henicosaene
CID 162496778

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1,3,7-trimethylphenanthrene?
The IUPAC name of 5-fluoro-1,3,7-trimethylphenanthrene (CID 59121353) is 5-fluoro-1,3,7-trimethylphenanthrene.
What is the SMILES notation for 5-fluoro-1,3,7-trimethylphenanthrene?
The canonical SMILES for 5-fluoro-1,3,7-trimethylphenanthrene is Cc1cc(F)c2c(ccc3c(C)cc(C)cc32)c1.
What is the InChIKey of 5-fluoro-1,3,7-trimethylphenanthrene?
The InChIKey is GGGQLNFLOLQGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F/c1-10-6-12(3)14-5-4-13-7-11(2)9-16(18)17(13)15(14)8-10/h4-9H,1-3H3.
What are the key properties of 5-fluoro-1,3,7-trimethylphenanthrene?
5-fluoro-1,3,7-trimethylphenanthrene has a molecular weight of 238.30 g/mol, XLogP of 5.06, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1,3,7-trimethylphenanthrene is sourced from PubChem (CID 59121353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).