2-pentyl-7-(trifluoromethoxy)-9,10-dihydrophenanthrene

C20H21F3O — CID 18377916

IUPAC2-pentyl-7-(trifluoromethoxy)-9,10-dihydrophenanthrene
SMILESCCCCCc1ccc2c(c1)CCc1cc(OC(F)(F)F)ccc1-2
InChIInChI=1S/C20H21F3O/c1-2-3-4-5-14-6-10-18-15(12-14)7-8-16-13-17(9-11-19(16)18)24-20(21,22)23/h6,9-13H,2-5,7-8H2,1H3
InChIKeyFOQQATRFVIMSDE-UHFFFAOYSA-N
MW334.38 g/mol
LogP6.08
Rot. Bonds5

About 2-pentyl-7-(trifluoromethoxy)-9,10-dihydrophenanthrene

2-pentyl-7-(trifluoromethoxy)-9,10-dihydrophenanthrene (PubChem CID 18377916) has the molecular formula C20H21F3O and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-pentyl-7-(trifluoromethoxy)-9,10-dihydrophenanthrene.

Molecular Properties

Compound Name2-pentyl-7-(trifluoromethoxy)-9,10-dihydrophenanthrene
PubChem CID18377916
Molecular FormulaC20H21F3O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC Name2-pentyl-7-(trifluoromethoxy)-9,10-dihydrophenanthrene
SMILESCCCCCc1ccc2c(c1)CCc1cc(OC(F)(F)F)ccc1-2
InChIInChI=1S/C20H21F3O/c1-2-3-4-5-14-6-10-18-15(12-14)7-8-16-13-17(9-11-19(16)18)24-20(21,22)23/h6,9-13H,2-5,7-8H2,1H3
InChIKeyFOQQATRFVIMSDE-UHFFFAOYSA-N
XLogP6.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.38
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-butoxy-7-(trifluoromethoxy)-9,10-dihydrophenanthrene
CID 18377936
3-fluoro-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-7-heptyl-9,10-dihydrophenanthrene
CID 139883300
2-methoxy-7-(trifluoromethoxy)-9,10-dihydrophenanthrene
CID 18377970
1,3-difluoro-7-pentyl-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene
CID 139884348
2-butyl-7-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethynyl]-9,10-dihydrophenanthrene
CID 139883297
1-pentyl-4-[4-[2-[4-(trifluoromethoxy)phenyl]ethyl]phenyl]benzene
CID 18984117
2-heptyl-6-[6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]naphthalene
CID 139849239
3-(4-butylphenyl)-7-fluoro-1,2-dihydronaphthalene;3-(4-ethylphenyl)-7-(trifluoromethoxy)-1,2-dihydronaphthalene;7-fluoro-3-(4-pentylphenyl)-1,2-dihydronaphthalene
CID 158815759
2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-7-heptyl-9,10-dihydrophenanthrene
CID 139883992
2,3-difluoro-1-(4-hexylphenyl)-4-[4-(trifluoromethoxy)phenyl]benzene
CID 70388526
2-[4-(difluoromethoxy)phenyl]-1-fluoro-7-hexyl-9,10-dihydrophenanthrene
CID 139884041
5-octyl-2,3-dihydroinden-1-one
CID 67248522

Frequently Asked Questions

What is the IUPAC name of 2-pentyl-7-(trifluoromethoxy)-9,10-dihydrophenanthrene?
The IUPAC name of 2-pentyl-7-(trifluoromethoxy)-9,10-dihydrophenanthrene (CID 18377916) is 2-pentyl-7-(trifluoromethoxy)-9,10-dihydrophenanthrene.
What is the SMILES notation for 2-pentyl-7-(trifluoromethoxy)-9,10-dihydrophenanthrene?
The canonical SMILES for 2-pentyl-7-(trifluoromethoxy)-9,10-dihydrophenanthrene is CCCCCc1ccc2c(c1)CCc1cc(OC(F)(F)F)ccc1-2.
What is the InChIKey of 2-pentyl-7-(trifluoromethoxy)-9,10-dihydrophenanthrene?
The InChIKey is FOQQATRFVIMSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3O/c1-2-3-4-5-14-6-10-18-15(12-14)7-8-16-13-17(9-11-19(16)18)24-20(21,22)23/h6,9-13H,2-5,7-8H2,1H3.
What are the key properties of 2-pentyl-7-(trifluoromethoxy)-9,10-dihydrophenanthrene?
2-pentyl-7-(trifluoromethoxy)-9,10-dihydrophenanthrene has a molecular weight of 334.38 g/mol, XLogP of 6.08, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyl-7-(trifluoromethoxy)-9,10-dihydrophenanthrene is sourced from PubChem (CID 18377916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).