CID 176956706

C24H31F2 — CID 176956706

IUPAC—
SMILESC#Cc1ccc(C2=CCC(CCCC)CC2)c(F)c1F.[CH2]C1CCCC1
InChIInChI=1S/C18H20F2.C6H11/c1-3-5-6-13-7-9-15(10-8-13)16-12-11-14(4-2)17(19)18(16)20;1-6-4-2-3-5-6/h2,9,11-13H,3,5-8,10H2,1H3;6H,1-5H2
InChIKeyUTMGXFZLVUMMAI-UHFFFAOYSA-N
MW357.51 g/mol
LogP7.33
Rot. Bonds4

About CID 176956706

CID 176956706 (PubChem CID 176956706) has the molecular formula C24H31F2 and a molecular weight of 357.51 g/mol.

Molecular Properties

Compound NameCID 176956706
PubChem CID176956706
Molecular FormulaC24H31F2
Molecular Weight357.51 g/mol
Exact Mass357.24
IUPAC Name—
SMILESC#Cc1ccc(C2=CCC(CCCC)CC2)c(F)c1F.[CH2]C1CCCC1
InChIInChI=1S/C18H20F2.C6H11/c1-3-5-6-13-7-9-15(10-8-13)16-12-11-14(4-2)17(19)18(16)20;1-6-4-2-3-5-6/h2,9,11-13H,3,5-8,10H2,1H3;6H,1-5H2
InChIKeyUTMGXFZLVUMMAI-UHFFFAOYSA-N
XLogP7.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.51
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze CID 176956706 with MolForge

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

Launch Full Analysis

Related Compounds

CID 176956699
CID 176956699
1,2-difluoro-3-(4-pentylcyclohexen-1-yl)benzene
CID 14495643
1,2-difluoro-3-(4-nonylcyclohexen-1-yl)benzene
CID 19108157
1-[4-[2,3-difluoro-4-(4-heptylcyclohexen-1-yl)phenyl]phenyl]-2,3-difluoro-4-octylbenzene
CID 67731907
1-[4-(2,3-difluoro-4-octylphenyl)phenyl]-2,3-difluoro-4-(4-pentylcyclohexen-1-yl)benzene
CID 67731873
1-butyl-2,3-difluoro-4-(4-pent-3-enylcyclohexen-1-yl)benzene
CID 76631767
2,3-difluoro-1-methyl-4-[4-[2-(4-non-3-enylcyclohexyl)ethyl]cyclohexen-1-yl]benzene
CID 76631721
1-(4-butylcyclohexen-1-yl)-4-[4-[2,3-difluoro-4-[(E)-pent-3-enyl]phenyl]phenyl]-2,3-difluorobenzene
CID 67732093
4-bromo-2-fluoro-1-(4-pentylcyclohexen-1-yl)benzene
CID 58687490
1-butyl-3-chloro-2-fluoro-4-(4-pentylcyclohexen-1-yl)benzene
CID 59257379
(4-propylphenyl) 2,3-difluoro-4-(4-pentylcyclohexen-1-yl)benzoate
CID 19103534
1-(4-but-3-enylcyclohexen-1-yl)-4-[4-(2,3-difluoro-4-nonylphenyl)phenyl]-2,3-difluorobenzene
CID 67732059

Frequently Asked Questions

What is the IUPAC name of CID 176956706?
The IUPAC name of CID 176956706 (CID 176956706) is not available.
What is the SMILES notation for CID 176956706?
The canonical SMILES for CID 176956706 is C#Cc1ccc(C2=CCC(CCCC)CC2)c(F)c1F.[CH2]C1CCCC1.
What is the InChIKey of CID 176956706?
The InChIKey is UTMGXFZLVUMMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2.C6H11/c1-3-5-6-13-7-9-15(10-8-13)16-12-11-14(4-2)17(19)18(16)20;1-6-4-2-3-5-6/h2,9,11-13H,3,5-8,10H2,1H3;6H,1-5H2.
What are the key properties of CID 176956706?
CID 176956706 has a molecular weight of 357.51 g/mol, XLogP of 7.33, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 176956706 is sourced from PubChem (CID 176956706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).