6-fluoro-2,7-dimethyl-1,2,3,4-tetrahydrophenanthrene

C16H17F — CID 21032941

IUPAC6-fluoro-2,7-dimethyl-1,2,3,4-tetrahydrophenanthrene
SMILESCc1cc2ccc3c(c2cc1F)CCC(C)C3
InChIInChI=1S/C16H17F/c1-10-3-6-14-12(7-10)4-5-13-8-11(2)16(17)9-15(13)14/h4-5,8-10H,3,6-7H2,1-2H3
InChIKeyBPSBNUYHTGBDIB-UHFFFAOYSA-N
MW228.31 g/mol
LogP4.41
Rot. Bonds

About 6-fluoro-2,7-dimethyl-1,2,3,4-tetrahydrophenanthrene

6-fluoro-2,7-dimethyl-1,2,3,4-tetrahydrophenanthrene (PubChem CID 21032941) has the molecular formula C16H17F and a molecular weight of 228.31 g/mol. Its IUPAC name is 6-fluoro-2,7-dimethyl-1,2,3,4-tetrahydrophenanthrene.

Molecular Properties

Compound Name6-fluoro-2,7-dimethyl-1,2,3,4-tetrahydrophenanthrene
PubChem CID21032941
Molecular FormulaC16H17F
Molecular Weight228.31 g/mol
Exact Mass228.13
IUPAC Name6-fluoro-2,7-dimethyl-1,2,3,4-tetrahydrophenanthrene
SMILESCc1cc2ccc3c(c2cc1F)CCC(C)C3
InChIInChI=1S/C16H17F/c1-10-3-6-14-12(7-10)4-5-13-8-11(2)16(17)9-15(13)14/h4-5,8-10H,3,6-7H2,1-2H3
InChIKeyBPSBNUYHTGBDIB-UHFFFAOYSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.31
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 130033796
1,2,3,7,8-pentamethylnaphthalene;2,6,7,8-tetramethyl-1,2,3,4-tetrahydronaphthalene;2,5,6-trimethyl-1,2,3,4-tetrahydronaphthalene
CID 158290232
6,7,8-trifluoro-2-(4-methylcyclohexyl)-1,2,3,4-tetrahydrophenanthrene
CID 59889698
furan;2-methyl-1,2,3,4-tetrahydrochrysene
CID 174285203
ethane;(2S)-7-fluoro-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 172615392
(2R)-7,8-difluoro-2,6-dimethyl-1,2,3,4-tetrahydronaphthalene
CID 146513839
2,7-dimethyl-1,2,3,4-tetrahydronaphthalene;ethane
CID 145046662
5-(3-fluoro-4-methylphenyl)-2-methyl-2,3-dihydro-1H-indene
CID 22899633
1-fluoro-2,7-dimethyl-9,10-dihydrophenanthrene;3-fluoro-2,7-dimethylphenanthrene
CID 142043259
5-(1,3-difluoro-6-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-2-methylpyridine
CID 54305977
(7S)-7-methyl-6,7,8,9-tetrahydrobenzo[g][1,3]benzodioxole
CID 143917287
6-(3,5-difluorophenyl)-2-methyl-1,2,3,4-tetrahydronaphthalene
CID 142035350

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2,7-dimethyl-1,2,3,4-tetrahydrophenanthrene?
The IUPAC name of 6-fluoro-2,7-dimethyl-1,2,3,4-tetrahydrophenanthrene (CID 21032941) is 6-fluoro-2,7-dimethyl-1,2,3,4-tetrahydrophenanthrene.
What is the SMILES notation for 6-fluoro-2,7-dimethyl-1,2,3,4-tetrahydrophenanthrene?
The canonical SMILES for 6-fluoro-2,7-dimethyl-1,2,3,4-tetrahydrophenanthrene is Cc1cc2ccc3c(c2cc1F)CCC(C)C3.
What is the InChIKey of 6-fluoro-2,7-dimethyl-1,2,3,4-tetrahydrophenanthrene?
The InChIKey is BPSBNUYHTGBDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F/c1-10-3-6-14-12(7-10)4-5-13-8-11(2)16(17)9-15(13)14/h4-5,8-10H,3,6-7H2,1-2H3.
What are the key properties of 6-fluoro-2,7-dimethyl-1,2,3,4-tetrahydrophenanthrene?
6-fluoro-2,7-dimethyl-1,2,3,4-tetrahydrophenanthrene has a molecular weight of 228.31 g/mol, XLogP of 4.41, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2,7-dimethyl-1,2,3,4-tetrahydrophenanthrene is sourced from PubChem (CID 21032941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).