CID 173414157

C20H27FIn — CID 173414157

IUPAC—
SMILESCC(CCc1ccccc1)[In]C(C)CCc1ccccc1.F
InChIInChI=1S/2C10H13.FH.In/c2*1-2-3-7-10-8-5-4-6-9-10;;/h2*2,4-6,8-9H,3,7H2,1H3;1H;
InChIKeyHJZKXAHVKDECFW-UHFFFAOYSA-N
MW401.25 g/mol
LogP5.73
Rot. Bonds8

About CID 173414157

CID 173414157 (PubChem CID 173414157) has the molecular formula C20H27FIn and a molecular weight of 401.25 g/mol.

Molecular Properties

Compound NameCID 173414157
PubChem CID173414157
Molecular FormulaC20H27FIn
Molecular Weight401.25 g/mol
Exact Mass401.11
IUPAC Name—
SMILESCC(CCc1ccccc1)[In]C(C)CCc1ccccc1.F
InChIInChI=1S/2C10H13.FH.In/c2*1-2-3-7-10-8-5-4-6-9-10;;/h2*2,4-6,8-9H,3,7H2,1H3;1H;
InChIKeyHJZKXAHVKDECFW-UHFFFAOYSA-N
XLogP5.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.25
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze CID 173414157 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

ethene;3-methylbutylbenzene
CID 145421013
(2R)-4-phenylbutane-2-thiol
CID 28974861
(2S)-4-phenylbutan-2-amine
CID 6994564
trimethyl(2-phenylethyl)phosphanium
CID 10777798
[(3R)-3,4,4-trimethylpentyl]benzene
CID 101039673
2-methyl-4-phenylbutane-1,1-diol
CID 20647936
3,4-dimethylhexylbenzene
CID 72602417
(2R)-2-deuterio-4-phenylbutan-2-ol
CID 162415693
1-(3-methylbutyl)-3-(2-phenylethyl)benzene
CID 170689671
N,N-diethyl-4-phenylbutan-2-amine
CID 567866
4-phenylbutan-2-ylhydrazine
CID 28622
3-phosphorosobutylbenzene
CID 165430186

Frequently Asked Questions

What is the IUPAC name of CID 173414157?
The IUPAC name of CID 173414157 (CID 173414157) is not available.
What is the SMILES notation for CID 173414157?
The canonical SMILES for CID 173414157 is CC(CCc1ccccc1)[In]C(C)CCc1ccccc1.F.
What is the InChIKey of CID 173414157?
The InChIKey is HJZKXAHVKDECFW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H13.FH.In/c2*1-2-3-7-10-8-5-4-6-9-10;;/h2*2,4-6,8-9H,3,7H2,1H3;1H;.
What are the key properties of CID 173414157?
CID 173414157 has a molecular weight of 401.25 g/mol, XLogP of 5.73, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173414157 is sourced from PubChem (CID 173414157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).