ethane;2-fluorobutane;1-phenylethylbenzene

C20H29F — CID 142933891

IUPACethane;2-fluorobutane;1-phenylethylbenzene
SMILESCC.CC(c1ccccc1)c1ccccc1.CCC(C)F
InChIInChI=1S/C14H14.C4H9F.C2H6/c1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14;1-3-4(2)5;1-2/h2-12H,1H3;4H,3H2,1-2H3;1-2H3
InChIKeyIFSRLXQJPYXQPX-UHFFFAOYSA-N
MW288.45 g/mol
LogP6.62
Rot. Bonds3

About ethane;2-fluorobutane;1-phenylethylbenzene

ethane;2-fluorobutane;1-phenylethylbenzene (PubChem CID 142933891) has the molecular formula C20H29F and a molecular weight of 288.45 g/mol. Its IUPAC name is ethane;2-fluorobutane;1-phenylethylbenzene.

Molecular Properties

Compound Nameethane;2-fluorobutane;1-phenylethylbenzene
PubChem CID142933891
Molecular FormulaC20H29F
Molecular Weight288.45 g/mol
Exact Mass288.23
IUPAC Nameethane;2-fluorobutane;1-phenylethylbenzene
SMILESCC.CC(c1ccccc1)c1ccccc1.CCC(C)F
InChIInChI=1S/C14H14.C4H9F.C2H6/c1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14;1-3-4(2)5;1-2/h2-12H,1H3;4H,3H2,1-2H3;1-2H3
InChIKeyIFSRLXQJPYXQPX-UHFFFAOYSA-N
XLogP6.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.45
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze ethane;2-fluorobutane;1-phenylethylbenzene 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

ethane;1-phenylethylbenzene
CID 164998811
ethane;methane;1-phenylethylbenzene
CID 143105414
1-phenylethylbenzene
CID 142851428
1-phenylethylbenzene
CID 11918
ethanamine;1-phenylethylbenzene
CID 19985218
1-phenylethylbenzene;stibane
CID 174965918
cumene;ethane;1-phenylethylbenzene
CID 158118082
ethane;methane;2-methylpropane;pentane;1,3,5-tris(1-phenylethyl)benzene
CID 145108113
N,N-diethyl-4-(1-phenylethyl)aniline
CID 68828092
ethene;1-fluoro-4-(1-phenylethyl)benzene
CID 144850475
2-fluoroheptan-4-ylbenzene
CID 174378334
[(2R,3S)-3-methylpentan-2-yl]benzene
CID 142488362

Frequently Asked Questions

What is the IUPAC name of ethane;2-fluorobutane;1-phenylethylbenzene?
The IUPAC name of ethane;2-fluorobutane;1-phenylethylbenzene (CID 142933891) is ethane;2-fluorobutane;1-phenylethylbenzene.
What is the SMILES notation for ethane;2-fluorobutane;1-phenylethylbenzene?
The canonical SMILES for ethane;2-fluorobutane;1-phenylethylbenzene is CC.CC(c1ccccc1)c1ccccc1.CCC(C)F.
What is the InChIKey of ethane;2-fluorobutane;1-phenylethylbenzene?
The InChIKey is IFSRLXQJPYXQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14.C4H9F.C2H6/c1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14;1-3-4(2)5;1-2/h2-12H,1H3;4H,3H2,1-2H3;1-2H3.
What are the key properties of ethane;2-fluorobutane;1-phenylethylbenzene?
ethane;2-fluorobutane;1-phenylethylbenzene has a molecular weight of 288.45 g/mol, XLogP of 6.62, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-fluorobutane;1-phenylethylbenzene is sourced from PubChem (CID 142933891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).