7-fluoro-5-[4-methyl-2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene

C18H16F4 — CID 143567581

IUPAC7-fluoro-5-[4-methyl-2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene
SMILESCc1ccc(-c2cc(F)cc3c2CCCC3)c(C(F)(F)F)c1
InChIInChI=1S/C18H16F4/c1-11-6-7-15(17(8-11)18(20,21)22)16-10-13(19)9-12-4-2-3-5-14(12)16/h6-10H,2-5H2,1H3
InChIKeyICCLOSQRQVVWKZ-UHFFFAOYSA-N
MW308.32 g/mol
LogP5.70
Rot. Bonds1

About 7-fluoro-5-[4-methyl-2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene

7-fluoro-5-[4-methyl-2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene (PubChem CID 143567581) has the molecular formula C18H16F4 and a molecular weight of 308.32 g/mol. Its IUPAC name is 7-fluoro-5-[4-methyl-2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name7-fluoro-5-[4-methyl-2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene
PubChem CID143567581
Molecular FormulaC18H16F4
Molecular Weight308.32 g/mol
Exact Mass308.12
IUPAC Name7-fluoro-5-[4-methyl-2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene
SMILESCc1ccc(-c2cc(F)cc3c2CCCC3)c(C(F)(F)F)c1
InChIInChI=1S/C18H16F4/c1-11-6-7-15(17(8-11)18(20,21)22)16-10-13(19)9-12-4-2-3-5-14(12)16/h6-10H,2-5H2,1H3
InChIKeyICCLOSQRQVVWKZ-UHFFFAOYSA-N
XLogP5.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.32
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5-[4-methyl-2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 7-fluoro-5-[4-methyl-2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene (CID 143567581) is 7-fluoro-5-[4-methyl-2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 7-fluoro-5-[4-methyl-2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 7-fluoro-5-[4-methyl-2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene is Cc1ccc(-c2cc(F)cc3c2CCCC3)c(C(F)(F)F)c1.
What is the InChIKey of 7-fluoro-5-[4-methyl-2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene?
The InChIKey is ICCLOSQRQVVWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F4/c1-11-6-7-15(17(8-11)18(20,21)22)16-10-13(19)9-12-4-2-3-5-14(12)16/h6-10H,2-5H2,1H3.
What are the key properties of 7-fluoro-5-[4-methyl-2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene?
7-fluoro-5-[4-methyl-2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene has a molecular weight of 308.32 g/mol, XLogP of 5.70, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-[4-methyl-2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 143567581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).