2-(3,4-difluorophenyl)-7-ethyl-1-fluoro-9,10-dihydrophenanthrene

C22H17F3 — CID 139884423

IUPAC2-(3,4-difluorophenyl)-7-ethyl-1-fluoro-9,10-dihydrophenanthrene
SMILESCCc1ccc2c(c1)CCc1c-2ccc(-c2ccc(F)c(F)c2)c1F
InChIInChI=1S/C22H17F3/c1-2-13-3-6-16-14(11-13)4-7-19-18(16)9-8-17(22(19)25)15-5-10-20(23)21(24)12-15/h3,5-6,8-12H,2,4,7H2,1H3
InChIKeyLAQMPVZXYVOBCA-UHFFFAOYSA-N
MW338.37 g/mol
LogP6.10
Rot. Bonds2

About 2-(3,4-difluorophenyl)-7-ethyl-1-fluoro-9,10-dihydrophenanthrene

2-(3,4-difluorophenyl)-7-ethyl-1-fluoro-9,10-dihydrophenanthrene (PubChem CID 139884423) has the molecular formula C22H17F3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-7-ethyl-1-fluoro-9,10-dihydrophenanthrene.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-7-ethyl-1-fluoro-9,10-dihydrophenanthrene
PubChem CID139884423
Molecular FormulaC22H17F3
Molecular Weight338.37 g/mol
Exact Mass338.13
IUPAC Name2-(3,4-difluorophenyl)-7-ethyl-1-fluoro-9,10-dihydrophenanthrene
SMILESCCc1ccc2c(c1)CCc1c-2ccc(-c2ccc(F)c(F)c2)c1F
InChIInChI=1S/C22H17F3/c1-2-13-3-6-16-14(11-13)4-7-19-18(16)9-8-17(22(19)25)15-5-10-20(23)21(24)12-15/h3,5-6,8-12H,2,4,7H2,1H3
InChIKeyLAQMPVZXYVOBCA-UHFFFAOYSA-N
XLogP6.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.37
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

7-ethyl-1-fluoro-2-(3,4,5-trifluorophenyl)-9H-fluorene
CID 139883301
1-fluoro-7-hexyl-2-(3,4,5-trifluorophenyl)-9,10-dihydrophenanthrene
CID 139883671
2-(3,4-difluorophenyl)-1-fluoro-7-heptyl-9H-fluorene
CID 139883894
2-(4-chloro-3-fluorophenyl)-7-ethyl-9,10-dihydrophenanthrene
CID 139883517
2-(4-chlorophenyl)-7-ethyl-3-fluoro-9,10-dihydrophenanthrene
CID 139883628
2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-7-ethyl-9,10-dihydrophenanthrene
CID 139883642
2-(4-chlorophenyl)-7-ethyl-9,10-dihydrophenanthrene
CID 139883299
4-(7-ethyl-1,3-difluoro-9,10-dihydrophenanthren-2-yl)benzonitrile
CID 22045451
2-(4-chlorophenyl)-1,3-difluoro-7-propyl-9,10-dihydrophenanthrene
CID 22045499
6-(3,4-difluorophenyl)-2-ethyl-5-fluoro-1,2,3,4-tetrahydronaphthalene
CID 139852568
2-[4-(difluoromethoxy)phenyl]-1-fluoro-7-hexyl-9,10-dihydrophenanthrene
CID 139884041
7-(3,4-difluorophenyl)-3-(4-ethylcyclohexyl)-8-fluoro-1,2-dihydronaphthalene
CID 139960320

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-7-ethyl-1-fluoro-9,10-dihydrophenanthrene?
The IUPAC name of 2-(3,4-difluorophenyl)-7-ethyl-1-fluoro-9,10-dihydrophenanthrene (CID 139884423) is 2-(3,4-difluorophenyl)-7-ethyl-1-fluoro-9,10-dihydrophenanthrene.
What is the SMILES notation for 2-(3,4-difluorophenyl)-7-ethyl-1-fluoro-9,10-dihydrophenanthrene?
The canonical SMILES for 2-(3,4-difluorophenyl)-7-ethyl-1-fluoro-9,10-dihydrophenanthrene is CCc1ccc2c(c1)CCc1c-2ccc(-c2ccc(F)c(F)c2)c1F.
What is the InChIKey of 2-(3,4-difluorophenyl)-7-ethyl-1-fluoro-9,10-dihydrophenanthrene?
The InChIKey is LAQMPVZXYVOBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3/c1-2-13-3-6-16-14(11-13)4-7-19-18(16)9-8-17(22(19)25)15-5-10-20(23)21(24)12-15/h3,5-6,8-12H,2,4,7H2,1H3.
What are the key properties of 2-(3,4-difluorophenyl)-7-ethyl-1-fluoro-9,10-dihydrophenanthrene?
2-(3,4-difluorophenyl)-7-ethyl-1-fluoro-9,10-dihydrophenanthrene has a molecular weight of 338.37 g/mol, XLogP of 6.10, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-7-ethyl-1-fluoro-9,10-dihydrophenanthrene is sourced from PubChem (CID 139884423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).