1-fluoro-2,7-dimethylphenanthrene

C16H13F — CID 21032854

IUPAC1-fluoro-2,7-dimethylphenanthrene
SMILESCc1ccc2c(ccc3c(F)c(C)ccc32)c1
InChIInChI=1S/C16H13F/c1-10-3-6-13-12(9-10)5-8-15-14(13)7-4-11(2)16(15)17/h3-9H,1-2H3
InChIKeyFSXKQVRSCWZJBP-UHFFFAOYSA-N
MW224.28 g/mol
LogP4.75
Rot. Bonds

About 1-fluoro-2,7-dimethylphenanthrene

1-fluoro-2,7-dimethylphenanthrene (PubChem CID 21032854) has the molecular formula C16H13F and a molecular weight of 224.28 g/mol. Its IUPAC name is 1-fluoro-2,7-dimethylphenanthrene.

Molecular Properties

Compound Name1-fluoro-2,7-dimethylphenanthrene
PubChem CID21032854
Molecular FormulaC16H13F
Molecular Weight224.28 g/mol
Exact Mass224.10
IUPAC Name1-fluoro-2,7-dimethylphenanthrene
SMILESCc1ccc2c(ccc3c(F)c(C)ccc32)c1
InChIInChI=1S/C16H13F/c1-10-3-6-13-12(9-10)5-8-15-14(13)7-4-11(2)16(15)17/h3-9H,1-2H3
InChIKeyFSXKQVRSCWZJBP-UHFFFAOYSA-N
XLogP4.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 54.75
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

2,7-dimethylphenanthrene;ethane
CID 91503011
2,9-dimethylnaphtho[1,2-b]phenanthrene;3,10-dimethylnaphtho[1,2-b]phenanthrene
CID 164992833
1,3-difluoro-2,6-dimethylnaphthalene;1-fluoro-2,6-dimethylnaphthalene;1,3,8-trifluoro-2,6-dimethylnaphthalene
CID 159577339
1,3-difluoro-2,6-dimethylnaphthalene;bis(1,4-difluoro-2,6-dimethylnaphthalene);1,7-difluoro-2,6-dimethylnaphthalene
CID 162198404
1-ethyl-2,6-dimethylnaphthalene
CID 20601360
bis(1,7-dimethylphenanthrene);1,8-dimethylphenanthrene;2,7-dimethylphenanthrene;3,6-dimethylphenanthrene;ethane;triphenylene
CID 161112434
1-ethynyl-2,6-dimethylnaphthalene
CID 142157789
10-methyl-3-(trifluoromethyl)naphtho[1,2-b]phenanthrene
CID 58426666
1-fluoro-2,7-dimethyl-9,10-dihydrophenanthrene;3-fluoro-2,7-dimethylphenanthrene
CID 142043259
2-ethyl-7-methylphenanthrene
CID 59758331
6-bromo-2-methylphenanthrene
CID 15159136
1,8-difluoro-2,7-dimethyl-9,10-dihydrophenanthrene;1,8-difluoro-2,7-dimethylphenanthrene;1,8-difluoro-2-methyl-7-[(4-methylcyclohexyl)methyl]-9,10-dihydrophenanthrene;1,8-difluoro-2-methyl-7-[(4-methylcyclohexyl)methyl]phenanthrene;1-fluoro-2,7-dimethyl-9,10-dihydrophenanthrene;1-fluoro-2,7-dimethylphenanthrene;molecular hydrogen
CID 160546763

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2,7-dimethylphenanthrene?
The IUPAC name of 1-fluoro-2,7-dimethylphenanthrene (CID 21032854) is 1-fluoro-2,7-dimethylphenanthrene.
What is the SMILES notation for 1-fluoro-2,7-dimethylphenanthrene?
The canonical SMILES for 1-fluoro-2,7-dimethylphenanthrene is Cc1ccc2c(ccc3c(F)c(C)ccc32)c1.
What is the InChIKey of 1-fluoro-2,7-dimethylphenanthrene?
The InChIKey is FSXKQVRSCWZJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F/c1-10-3-6-13-12(9-10)5-8-15-14(13)7-4-11(2)16(15)17/h3-9H,1-2H3.
What are the key properties of 1-fluoro-2,7-dimethylphenanthrene?
1-fluoro-2,7-dimethylphenanthrene has a molecular weight of 224.28 g/mol, XLogP of 4.75, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2,7-dimethylphenanthrene is sourced from PubChem (CID 21032854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).