7-butyl-2-(4-chlorophenyl)-3-fluoro-9,10-dihydrophenanthrene

C24H22ClF — CID 139883454

IUPAC7-butyl-2-(4-chlorophenyl)-3-fluoro-9,10-dihydrophenanthrene
SMILESCCCCc1ccc2c(c1)CCc1cc(-c3ccc(Cl)cc3)c(F)cc1-2
InChIInChI=1S/C24H22ClF/c1-2-3-4-16-5-12-21-18(13-16)6-7-19-14-23(24(26)15-22(19)21)17-8-10-20(25)11-9-17/h5,8-15H,2-4,6-7H2,1H3
InChIKeyVBWQAPBKXIEYQQ-UHFFFAOYSA-N
MW364.89 g/mol
LogP7.25
Rot. Bonds4

About 7-butyl-2-(4-chlorophenyl)-3-fluoro-9,10-dihydrophenanthrene

7-butyl-2-(4-chlorophenyl)-3-fluoro-9,10-dihydrophenanthrene (PubChem CID 139883454) has the molecular formula C24H22ClF and a molecular weight of 364.89 g/mol. Its IUPAC name is 7-butyl-2-(4-chlorophenyl)-3-fluoro-9,10-dihydrophenanthrene.

Molecular Properties

Compound Name7-butyl-2-(4-chlorophenyl)-3-fluoro-9,10-dihydrophenanthrene
PubChem CID139883454
Molecular FormulaC24H22ClF
Molecular Weight364.89 g/mol
Exact Mass364.14
IUPAC Name7-butyl-2-(4-chlorophenyl)-3-fluoro-9,10-dihydrophenanthrene
SMILESCCCCc1ccc2c(c1)CCc1cc(-c3ccc(Cl)cc3)c(F)cc1-2
InChIInChI=1S/C24H22ClF/c1-2-3-4-16-5-12-21-18(13-16)6-7-19-14-23(24(26)15-22(19)21)17-8-10-20(25)11-9-17/h5,8-15H,2-4,6-7H2,1H3
InChIKeyVBWQAPBKXIEYQQ-UHFFFAOYSA-N
XLogP7.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.89
LogP ≤ 57.25
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
2-(4-chlorophenyl)-7-ethyl-3-fluoro-9,10-dihydrophenanthrene
CID 139883628
2-(4-chlorophenyl)-3-fluoro-7-propyl-9H-fluorene
CID 22044997
7-butyl-2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluoro-9,10-dihydrophenanthrene
CID 139883296
4-(7-butyl-3-fluoro-9H-fluoren-2-yl)benzonitrile
CID 22044840
3-fluoro-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-7-heptyl-9,10-dihydrophenanthrene
CID 139883300
3-fluoro-7-propyl-2-[4-(trifluoromethyl)phenyl]-9H-fluorene
CID 22045482
2-(4-chlorophenyl)-1,3-difluoro-7-propyl-9,10-dihydrophenanthrene
CID 22045499
1-(4-butylphenyl)-2,5-difluoro-4-(4-propylphenyl)benzene
CID 71422219
7-butyl-2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-3-fluoro-9H-fluorene
CID 139883707
4-butyl-2-fluoro-1-[4-[2-(4-pentylphenyl)ethyl]phenyl]benzene
CID 19906913

Frequently Asked Questions

What is the IUPAC name of 7-butyl-2-(4-chlorophenyl)-3-fluoro-9,10-dihydrophenanthrene?
The IUPAC name of 7-butyl-2-(4-chlorophenyl)-3-fluoro-9,10-dihydrophenanthrene (CID 139883454) is 7-butyl-2-(4-chlorophenyl)-3-fluoro-9,10-dihydrophenanthrene.
What is the SMILES notation for 7-butyl-2-(4-chlorophenyl)-3-fluoro-9,10-dihydrophenanthrene?
The canonical SMILES for 7-butyl-2-(4-chlorophenyl)-3-fluoro-9,10-dihydrophenanthrene is CCCCc1ccc2c(c1)CCc1cc(-c3ccc(Cl)cc3)c(F)cc1-2.
What is the InChIKey of 7-butyl-2-(4-chlorophenyl)-3-fluoro-9,10-dihydrophenanthrene?
The InChIKey is VBWQAPBKXIEYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClF/c1-2-3-4-16-5-12-21-18(13-16)6-7-19-14-23(24(26)15-22(19)21)17-8-10-20(25)11-9-17/h5,8-15H,2-4,6-7H2,1H3.
What are the key properties of 7-butyl-2-(4-chlorophenyl)-3-fluoro-9,10-dihydrophenanthrene?
7-butyl-2-(4-chlorophenyl)-3-fluoro-9,10-dihydrophenanthrene has a molecular weight of 364.89 g/mol, XLogP of 7.25, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butyl-2-(4-chlorophenyl)-3-fluoro-9,10-dihydrophenanthrene is sourced from PubChem (CID 139883454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).