1-(trifluoromethyl)-2,3,4,5-tetrahydrochrysene

C19H15F3 — CID 174367216

IUPAC1-(trifluoromethyl)-2,3,4,5-tetrahydrochrysene
SMILESFC(F)(F)C1=c2ccc3c(c2CCC1)CC=c1ccccc1=3
InChIInChI=1S/C19H15F3/c20-19(21,22)18-7-3-6-14-16-9-8-12-4-1-2-5-13(12)15(16)10-11-17(14)18/h1-2,4-5,8,10-11H,3,6-7,9H2
InChIKeyOSIWEDKGHGIANB-UHFFFAOYSA-N
MW300.32 g/mol
LogP3.36
Rot. Bonds

About 1-(trifluoromethyl)-2,3,4,5-tetrahydrochrysene

1-(trifluoromethyl)-2,3,4,5-tetrahydrochrysene (PubChem CID 174367216) has the molecular formula C19H15F3 and a molecular weight of 300.32 g/mol. Its IUPAC name is 1-(trifluoromethyl)-2,3,4,5-tetrahydrochrysene.

Molecular Properties

Compound Name1-(trifluoromethyl)-2,3,4,5-tetrahydrochrysene
PubChem CID174367216
Molecular FormulaC19H15F3
Molecular Weight300.32 g/mol
Exact Mass300.11
IUPAC Name1-(trifluoromethyl)-2,3,4,5-tetrahydrochrysene
SMILESFC(F)(F)C1=c2ccc3c(c2CCC1)CC=c1ccccc1=3
InChIInChI=1S/C19H15F3/c20-19(21,22)18-7-3-6-14-16-9-8-12-4-1-2-5-13(12)15(16)10-11-17(14)18/h1-2,4-5,8,10-11H,3,6-7,9H2
InChIKeyOSIWEDKGHGIANB-UHFFFAOYSA-N
XLogP3.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

bis(2,3,4,5-tetrahydrochrysen-1-yl) carbonate
CID 174520106
4-(2,3,4,5-tetrahydrochrysen-1-yl)benzaldehyde
CID 175242525
1-hydroxy-4,5-dihydro-3H-chrysen-2-one
CID 174891362
4,5-dihydro-3H-chrysen-2-one
CID 174363316
(3R)-1-fluoro-3-methyl-2,3,4,5-tetrahydrochrysene
CID 174851530
1-benzyl-4,5-dihydro-3H-chrysen-2-one
CID 174750449
8-fluoro-1-methyl-2,3,4,5-tetrahydrochrysene
CID 174532849
1,2-dihydropyridine;2,3,4,5-tetrahydrochrysene
CID 175274731
1H-3-benzazepine;1-methyl-8-(trifluoromethyl)-2,3,4,5-tetrahydrochrysene
CID 174546788
8-(2-chlorophenyl)-1-methyl-2,3,4,5-tetrahydrochrysene
CID 174546962
[2-methyl-4-(2-methylanilino)phenyl]-(2,3,4,5-tetrahydrochrysen-1-yl)methanone
CID 174326576
benzene;(2R)-2-ethyl-2,3,4,5-tetrahydrochrysene
CID 174904780

Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)-2,3,4,5-tetrahydrochrysene?
The IUPAC name of 1-(trifluoromethyl)-2,3,4,5-tetrahydrochrysene (CID 174367216) is 1-(trifluoromethyl)-2,3,4,5-tetrahydrochrysene.
What is the SMILES notation for 1-(trifluoromethyl)-2,3,4,5-tetrahydrochrysene?
The canonical SMILES for 1-(trifluoromethyl)-2,3,4,5-tetrahydrochrysene is FC(F)(F)C1=c2ccc3c(c2CCC1)CC=c1ccccc1=3.
What is the InChIKey of 1-(trifluoromethyl)-2,3,4,5-tetrahydrochrysene?
The InChIKey is OSIWEDKGHGIANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3/c20-19(21,22)18-7-3-6-14-16-9-8-12-4-1-2-5-13(12)15(16)10-11-17(14)18/h1-2,4-5,8,10-11H,3,6-7,9H2.
What are the key properties of 1-(trifluoromethyl)-2,3,4,5-tetrahydrochrysene?
1-(trifluoromethyl)-2,3,4,5-tetrahydrochrysene has a molecular weight of 300.32 g/mol, XLogP of 3.36, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)-2,3,4,5-tetrahydrochrysene is sourced from PubChem (CID 174367216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).