10-(6-chloro-9,9-difluorofluoren-3-yl)-9-methyl-1,2,9,9a-tetrahydroanthracene

C28H21ClF2 — CID 145277054

IUPAC10-(6-chloro-9,9-difluorofluoren-3-yl)-9-methyl-1,2,9,9a-tetrahydroanthracene
SMILESCC1c2ccccc2C(c2ccc3c(c2)-c2cc(Cl)ccc2C3(F)F)=C2C=CCCC21
InChIInChI=1S/C28H21ClF2/c1-16-19-6-2-4-8-21(19)27(22-9-5-3-7-20(16)22)17-10-12-25-23(14-17)24-15-18(29)11-13-26(24)28(25,30)31/h2,4-6,8-16,20H,3,7H2,1H3
InChIKeyOUSYVLYWGNCISW-UHFFFAOYSA-N
MW430.93 g/mol
LogP8.35
Rot. Bonds1

About 10-(6-chloro-9,9-difluorofluoren-3-yl)-9-methyl-1,2,9,9a-tetrahydroanthracene

10-(6-chloro-9,9-difluorofluoren-3-yl)-9-methyl-1,2,9,9a-tetrahydroanthracene (PubChem CID 145277054) has the molecular formula C28H21ClF2 and a molecular weight of 430.93 g/mol. Its IUPAC name is 10-(6-chloro-9,9-difluorofluoren-3-yl)-9-methyl-1,2,9,9a-tetrahydroanthracene.

Molecular Properties

Compound Name10-(6-chloro-9,9-difluorofluoren-3-yl)-9-methyl-1,2,9,9a-tetrahydroanthracene
PubChem CID145277054
Molecular FormulaC28H21ClF2
Molecular Weight430.93 g/mol
Exact Mass430.13
IUPAC Name10-(6-chloro-9,9-difluorofluoren-3-yl)-9-methyl-1,2,9,9a-tetrahydroanthracene
SMILESCC1c2ccccc2C(c2ccc3c(c2)-c2cc(Cl)ccc2C3(F)F)=C2C=CCCC21
InChIInChI=1S/C28H21ClF2/c1-16-19-6-2-4-8-21(19)27(22-9-5-3-7-20(16)22)17-10-12-25-23(14-17)24-15-18(29)11-13-26(24)28(25,30)31/h2,4-6,8-16,20H,3,7H2,1H3
InChIKeyOUSYVLYWGNCISW-UHFFFAOYSA-N
XLogP8.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.93
LogP ≤ 58.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 10-(6-chloro-9,9-difluorofluoren-3-yl)-9-methyl-1,2,9,9a-tetrahydroanthracene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10-(6-chloro-9,9-difluorofluoren-3-yl)-9-methyl-1,2,9,9a-tetrahydroanthracene?
The IUPAC name of 10-(6-chloro-9,9-difluorofluoren-3-yl)-9-methyl-1,2,9,9a-tetrahydroanthracene (CID 145277054) is 10-(6-chloro-9,9-difluorofluoren-3-yl)-9-methyl-1,2,9,9a-tetrahydroanthracene.
What is the SMILES notation for 10-(6-chloro-9,9-difluorofluoren-3-yl)-9-methyl-1,2,9,9a-tetrahydroanthracene?
The canonical SMILES for 10-(6-chloro-9,9-difluorofluoren-3-yl)-9-methyl-1,2,9,9a-tetrahydroanthracene is CC1c2ccccc2C(c2ccc3c(c2)-c2cc(Cl)ccc2C3(F)F)=C2C=CCCC21.
What is the InChIKey of 10-(6-chloro-9,9-difluorofluoren-3-yl)-9-methyl-1,2,9,9a-tetrahydroanthracene?
The InChIKey is OUSYVLYWGNCISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21ClF2/c1-16-19-6-2-4-8-21(19)27(22-9-5-3-7-20(16)22)17-10-12-25-23(14-17)24-15-18(29)11-13-26(24)28(25,30)31/h2,4-6,8-16,20H,3,7H2,1H3.
What are the key properties of 10-(6-chloro-9,9-difluorofluoren-3-yl)-9-methyl-1,2,9,9a-tetrahydroanthracene?
10-(6-chloro-9,9-difluorofluoren-3-yl)-9-methyl-1,2,9,9a-tetrahydroanthracene has a molecular weight of 430.93 g/mol, XLogP of 8.35, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(6-chloro-9,9-difluorofluoren-3-yl)-9-methyl-1,2,9,9a-tetrahydroanthracene is sourced from PubChem (CID 145277054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).