butane;fluoroethane;fluoromethane;fluoromethylbenzene

C14H25F3 — CID 123939786

IUPACbutane;fluoroethane;fluoromethane;fluoromethylbenzene
SMILESCCCC.CCF.CF.FCc1ccccc1
InChIInChI=1S/C7H7F.C4H10.C2H5F.CH3F/c8-6-7-4-2-1-3-5-7;1-3-4-2;1-2-3;1-2/h1-5H,6H2;3-4H2,1-2H3;2H2,1H3;1H3
InChIKeyQRCFYOCXMUYPBM-UHFFFAOYSA-N
MW250.35 g/mol
LogP5.52
Rot. Bonds2

About butane;fluoroethane;fluoromethane;fluoromethylbenzene

butane;fluoroethane;fluoromethane;fluoromethylbenzene (PubChem CID 123939786) has the molecular formula C14H25F3 and a molecular weight of 250.35 g/mol. Its IUPAC name is butane;fluoroethane;fluoromethane;fluoromethylbenzene.

Molecular Properties

Compound Namebutane;fluoroethane;fluoromethane;fluoromethylbenzene
PubChem CID123939786
Molecular FormulaC14H25F3
Molecular Weight250.35 g/mol
Exact Mass250.19
IUPAC Namebutane;fluoroethane;fluoromethane;fluoromethylbenzene
SMILESCCCC.CCF.CF.FCc1ccccc1
InChIInChI=1S/C7H7F.C4H10.C2H5F.CH3F/c8-6-7-4-2-1-3-5-7;1-3-4-2;1-2-3;1-2/h1-5H,6H2;3-4H2,1-2H3;2H2,1H3;1H3
InChIKeyQRCFYOCXMUYPBM-UHFFFAOYSA-N
XLogP5.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.35
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze butane;fluoroethane;fluoromethane;fluoromethylbenzene 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

deuteriomethane;fluoromethane;propylbenzene
CID 91154303
ethylcyclodecapentaene
CID 90861705
propylbenzene;hydrobromide
CID 70024036
propylbenzene tetraiodide
CID 23321652
sulfanium ethylbenzene
CID 22726309
azane;1,1'-biphenyl;butane
CID 155168826
ethane;ethylbenzene
CID 90887003
ethylbenzene;molybdenum
CID 161189179
benzylphosphinite;butane
CID 20529876
potassium;hydride;propylbenzene
CID 174749122
N,N-dibenzyl-1-fluoropropan-2-amine
CID 70794652
ethylbenzene;methoxyethane
CID 90842646

Frequently Asked Questions

What is the IUPAC name of butane;fluoroethane;fluoromethane;fluoromethylbenzene?
The IUPAC name of butane;fluoroethane;fluoromethane;fluoromethylbenzene (CID 123939786) is butane;fluoroethane;fluoromethane;fluoromethylbenzene.
What is the SMILES notation for butane;fluoroethane;fluoromethane;fluoromethylbenzene?
The canonical SMILES for butane;fluoroethane;fluoromethane;fluoromethylbenzene is CCCC.CCF.CF.FCc1ccccc1.
What is the InChIKey of butane;fluoroethane;fluoromethane;fluoromethylbenzene?
The InChIKey is QRCFYOCXMUYPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F.C4H10.C2H5F.CH3F/c8-6-7-4-2-1-3-5-7;1-3-4-2;1-2-3;1-2/h1-5H,6H2;3-4H2,1-2H3;2H2,1H3;1H3.
What are the key properties of butane;fluoroethane;fluoromethane;fluoromethylbenzene?
butane;fluoroethane;fluoromethane;fluoromethylbenzene has a molecular weight of 250.35 g/mol, XLogP of 5.52, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;fluoroethane;fluoromethane;fluoromethylbenzene is sourced from PubChem (CID 123939786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).