(3R)-1-fluoro-3-methyl-2,3,4,5-tetrahydrochrysene

C19H17F — CID 174851530

IUPAC(3R)-1-fluoro-3-methyl-2,3,4,5-tetrahydrochrysene
SMILESC[C@H]1CC(F)=c2ccc3c(c2C1)CC=c1ccccc1=3
InChIInChI=1S/C19H17F/c1-12-10-18-16-7-6-13-4-2-3-5-14(13)15(16)8-9-17(18)19(20)11-12/h2-6,8-9,12H,7,10-11H2,1H3/t12-/m1/s1
InChIKeyRRVUKMIIJBBWTI-GFCCVEGCSA-N
MW264.34 g/mol
LogP2.97
Rot. Bonds

About (3R)-1-fluoro-3-methyl-2,3,4,5-tetrahydrochrysene

(3R)-1-fluoro-3-methyl-2,3,4,5-tetrahydrochrysene (PubChem CID 174851530) has the molecular formula C19H17F and a molecular weight of 264.34 g/mol. Its IUPAC name is (3R)-1-fluoro-3-methyl-2,3,4,5-tetrahydrochrysene.

Molecular Properties

Compound Name(3R)-1-fluoro-3-methyl-2,3,4,5-tetrahydrochrysene
PubChem CID174851530
Molecular FormulaC19H17F
Molecular Weight264.34 g/mol
Exact Mass264.13
IUPAC Name(3R)-1-fluoro-3-methyl-2,3,4,5-tetrahydrochrysene
SMILESC[C@H]1CC(F)=c2ccc3c(c2C1)CC=c1ccccc1=3
InChIInChI=1S/C19H17F/c1-12-10-18-16-7-6-13-4-2-3-5-14(13)15(16)8-9-17(18)19(20)11-12/h2-6,8-9,12H,7,10-11H2,1H3/t12-/m1/s1
InChIKeyRRVUKMIIJBBWTI-GFCCVEGCSA-N
XLogP2.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-fluoro-3-methyl-2,3,4,5-tetrahydrochrysene?
The IUPAC name of (3R)-1-fluoro-3-methyl-2,3,4,5-tetrahydrochrysene (CID 174851530) is (3R)-1-fluoro-3-methyl-2,3,4,5-tetrahydrochrysene.
What is the SMILES notation for (3R)-1-fluoro-3-methyl-2,3,4,5-tetrahydrochrysene?
The canonical SMILES for (3R)-1-fluoro-3-methyl-2,3,4,5-tetrahydrochrysene is C[C@H]1CC(F)=c2ccc3c(c2C1)CC=c1ccccc1=3.
What is the InChIKey of (3R)-1-fluoro-3-methyl-2,3,4,5-tetrahydrochrysene?
The InChIKey is RRVUKMIIJBBWTI-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H17F/c1-12-10-18-16-7-6-13-4-2-3-5-14(13)15(16)8-9-17(18)19(20)11-12/h2-6,8-9,12H,7,10-11H2,1H3/t12-/m1/s1.
What are the key properties of (3R)-1-fluoro-3-methyl-2,3,4,5-tetrahydrochrysene?
(3R)-1-fluoro-3-methyl-2,3,4,5-tetrahydrochrysene has a molecular weight of 264.34 g/mol, XLogP of 2.97, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-fluoro-3-methyl-2,3,4,5-tetrahydrochrysene is sourced from PubChem (CID 174851530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).