2-(4-chlorophenyl)-3-fluoro-7-propyl-9H-fluorene

C22H18ClF — CID 22044997

IUPAC2-(4-chlorophenyl)-3-fluoro-7-propyl-9H-fluorene
SMILESCCCc1ccc2c(c1)Cc1cc(-c3ccc(Cl)cc3)c(F)cc1-2
InChIInChI=1S/C22H18ClF/c1-2-3-14-4-9-19-16(10-14)11-17-12-21(22(24)13-20(17)19)15-5-7-18(23)8-6-15/h4-10,12-13H,2-3,11H2,1H3
InChIKeyMQBLXDDMINGMRO-UHFFFAOYSA-N
MW336.84 g/mol
LogP6.67
Rot. Bonds3

About 2-(4-chlorophenyl)-3-fluoro-7-propyl-9H-fluorene

2-(4-chlorophenyl)-3-fluoro-7-propyl-9H-fluorene (PubChem CID 22044997) has the molecular formula C22H18ClF and a molecular weight of 336.84 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-fluoro-7-propyl-9H-fluorene.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-fluoro-7-propyl-9H-fluorene
PubChem CID22044997
Molecular FormulaC22H18ClF
Molecular Weight336.84 g/mol
Exact Mass336.11
IUPAC Name2-(4-chlorophenyl)-3-fluoro-7-propyl-9H-fluorene
SMILESCCCc1ccc2c(c1)Cc1cc(-c3ccc(Cl)cc3)c(F)cc1-2
InChIInChI=1S/C22H18ClF/c1-2-3-14-4-9-19-16(10-14)11-17-12-21(22(24)13-20(17)19)15-5-7-18(23)8-6-15/h4-10,12-13H,2-3,11H2,1H3
InChIKeyMQBLXDDMINGMRO-UHFFFAOYSA-N
XLogP6.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.84
LogP ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

7-butyl-2-(4-chlorophenyl)-3-fluoro-9H-fluorene
CID 139883423
2-(4-chlorophenyl)-3-fluoro-7-hexyl-9H-fluorene
CID 139884027
3-fluoro-7-propyl-2-[4-(trifluoromethyl)phenyl]-9H-fluorene
CID 22045482
7-butyl-2-(4-chlorophenyl)-3-fluoro-9,10-dihydrophenanthrene
CID 139883454
2-(4-chlorophenyl)-7-ethyl-3-fluoro-9,10-dihydrophenanthrene
CID 139883628
4-(7-butyl-3-fluoro-9H-fluoren-2-yl)benzonitrile
CID 22044840
2-(4-chlorophenyl)-1,3-difluoro-7-propyl-9,10-dihydrophenanthrene
CID 22045499
7-ethyl-3-fluoro-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene
CID 139884381
1-(4-chlorophenyl)-2-fluoro-4-[2-[4-[2-(4-propylphenyl)ethyl]cyclohexyl]ethyl]benzene
CID 54325474
7-butyl-2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-3-fluoro-9H-fluorene
CID 139883707
1-(4-butylphenyl)-2,5-difluoro-4-(4-propylphenyl)benzene
CID 71422219
4-(2-fluoro-4-propylphenyl)phenol
CID 139457311

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-fluoro-7-propyl-9H-fluorene?
The IUPAC name of 2-(4-chlorophenyl)-3-fluoro-7-propyl-9H-fluorene (CID 22044997) is 2-(4-chlorophenyl)-3-fluoro-7-propyl-9H-fluorene.
What is the SMILES notation for 2-(4-chlorophenyl)-3-fluoro-7-propyl-9H-fluorene?
The canonical SMILES for 2-(4-chlorophenyl)-3-fluoro-7-propyl-9H-fluorene is CCCc1ccc2c(c1)Cc1cc(-c3ccc(Cl)cc3)c(F)cc1-2.
What is the InChIKey of 2-(4-chlorophenyl)-3-fluoro-7-propyl-9H-fluorene?
The InChIKey is MQBLXDDMINGMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClF/c1-2-3-14-4-9-19-16(10-14)11-17-12-21(22(24)13-20(17)19)15-5-7-18(23)8-6-15/h4-10,12-13H,2-3,11H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-3-fluoro-7-propyl-9H-fluorene?
2-(4-chlorophenyl)-3-fluoro-7-propyl-9H-fluorene has a molecular weight of 336.84 g/mol, XLogP of 6.67, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-fluoro-7-propyl-9H-fluorene is sourced from PubChem (CID 22044997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).