2-methyl-7-(trifluoromethyl)-9,10-dihydrophenanthrene

C16H13F3 — CID 18377956

IUPAC2-methyl-7-(trifluoromethyl)-9,10-dihydrophenanthrene
SMILESCc1ccc2c(c1)CCc1cc(C(F)(F)F)ccc1-2
InChIInChI=1S/C16H13F3/c1-10-2-6-14-11(8-10)3-4-12-9-13(16(17,18)19)5-7-15(12)14/h2,5-9H,3-4H2,1H3
InChIKeyXAHDLJKPSAKKEE-UHFFFAOYSA-N
MW262.27 g/mol
LogP4.78
Rot. Bonds

About 2-methyl-7-(trifluoromethyl)-9,10-dihydrophenanthrene

2-methyl-7-(trifluoromethyl)-9,10-dihydrophenanthrene (PubChem CID 18377956) has the molecular formula C16H13F3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 2-methyl-7-(trifluoromethyl)-9,10-dihydrophenanthrene.

Molecular Properties

Compound Name2-methyl-7-(trifluoromethyl)-9,10-dihydrophenanthrene
PubChem CID18377956
Molecular FormulaC16H13F3
Molecular Weight262.27 g/mol
Exact Mass262.10
IUPAC Name2-methyl-7-(trifluoromethyl)-9,10-dihydrophenanthrene
SMILESCc1ccc2c(c1)CCc1cc(C(F)(F)F)ccc1-2
InChIInChI=1S/C16H13F3/c1-10-2-6-14-11(8-10)3-4-12-9-13(16(17,18)19)5-7-15(12)14/h2,5-9H,3-4H2,1H3
InChIKeyXAHDLJKPSAKKEE-UHFFFAOYSA-N
XLogP4.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-(trifluoromethyl)-9,10-dihydrophenanthrene?
The IUPAC name of 2-methyl-7-(trifluoromethyl)-9,10-dihydrophenanthrene (CID 18377956) is 2-methyl-7-(trifluoromethyl)-9,10-dihydrophenanthrene.
What is the SMILES notation for 2-methyl-7-(trifluoromethyl)-9,10-dihydrophenanthrene?
The canonical SMILES for 2-methyl-7-(trifluoromethyl)-9,10-dihydrophenanthrene is Cc1ccc2c(c1)CCc1cc(C(F)(F)F)ccc1-2.
What is the InChIKey of 2-methyl-7-(trifluoromethyl)-9,10-dihydrophenanthrene?
The InChIKey is XAHDLJKPSAKKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3/c1-10-2-6-14-11(8-10)3-4-12-9-13(16(17,18)19)5-7-15(12)14/h2,5-9H,3-4H2,1H3.
What are the key properties of 2-methyl-7-(trifluoromethyl)-9,10-dihydrophenanthrene?
2-methyl-7-(trifluoromethyl)-9,10-dihydrophenanthrene has a molecular weight of 262.27 g/mol, XLogP of 4.78, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-(trifluoromethyl)-9,10-dihydrophenanthrene is sourced from PubChem (CID 18377956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).