butyl(fluoromethyl)phosphane;1,2,3,4,5-pentafluoro-6-(2-fluorophenyl)benzene

C17H16F7P — CID 87882891

IUPACbutyl(fluoromethyl)phosphane;1,2,3,4,5-pentafluoro-6-(2-fluorophenyl)benzene
SMILESCCCCPCF.Fc1ccccc1-c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C12H4F6.C5H12FP/c13-6-4-2-1-3-5(6)7-8(14)10(16)12(18)11(17)9(7)15;1-2-3-4-7-5-6/h1-4H;7H,2-5H2,1H3
InChIKeyJMCFQVUUTLLTEK-UHFFFAOYSA-N
MW384.28 g/mol
LogP6.58
Rot. Bonds5

About butyl(fluoromethyl)phosphane;1,2,3,4,5-pentafluoro-6-(2-fluorophenyl)benzene

butyl(fluoromethyl)phosphane;1,2,3,4,5-pentafluoro-6-(2-fluorophenyl)benzene (PubChem CID 87882891) has the molecular formula C17H16F7P and a molecular weight of 384.28 g/mol. Its IUPAC name is butyl(fluoromethyl)phosphane;1,2,3,4,5-pentafluoro-6-(2-fluorophenyl)benzene.

Molecular Properties

Compound Namebutyl(fluoromethyl)phosphane;1,2,3,4,5-pentafluoro-6-(2-fluorophenyl)benzene
PubChem CID87882891
Molecular FormulaC17H16F7P
Molecular Weight384.28 g/mol
Exact Mass384.09
IUPAC Namebutyl(fluoromethyl)phosphane;1,2,3,4,5-pentafluoro-6-(2-fluorophenyl)benzene
SMILESCCCCPCF.Fc1ccccc1-c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C12H4F6.C5H12FP/c13-6-4-2-1-3-5(6)7-8(14)10(16)12(18)11(17)9(7)15;1-2-3-4-7-5-6/h1-4H;7H,2-5H2,1H3
InChIKeyJMCFQVUUTLLTEK-UHFFFAOYSA-N
XLogP6.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.28
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze butyl(fluoromethyl)phosphane;1,2,3,4,5-pentafluoro-6-(2-fluorophenyl)benzene 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

N-(fluoromethyl)ethanamine;1,2,3,4,5-pentafluoro-6-(2-fluorophenyl)benzene
CID 87883131
1,2,4,5-tetrafluoro-3-(2-fluorophenyl)-6-methylbenzene
CID 46314099
bis(2-methylpentyl)azanium;1,2,3,4,5-pentafluoro-6-(2-fluorophenyl)benzene;tetrakis(2-methylpentyl)alumanuide
CID 22637971
dipropylphosphanium;1,2,3,4,5-pentafluoro-6-(2-fluorophenyl)benzene;tetrakis(8-ethyl-2,3,4,5,6,7-hexafluoronaphthalen-1-yl)boranuide
CID 22637530
2,3,5,6-tetrafluoro-4-(2-fluorophenyl)pyridine
CID 46313127
1,2,3,4,9,10,11,12-octafluorotetraphenylene
CID 59855591
1,2,3,4,5-pentafluoro-6-[2-fluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]benzene
CID 175418212
4,6-difluoro-5-(2-fluorophenyl)benzene-1,3-diamine
CID 141297487
9,10-bis(2-fluorophenyl)anthracene
CID 101446406
1,2-difluoro-4-(2-fluorophenyl)-3-(4-octylphenyl)benzene
CID 54490547
2-(2-fluorophenyl)-1,3-dimethylbenzene
CID 22075461
butyl(2-phenylethyl)phosphane
CID 69425229

Frequently Asked Questions

What is the IUPAC name of butyl(fluoromethyl)phosphane;1,2,3,4,5-pentafluoro-6-(2-fluorophenyl)benzene?
The IUPAC name of butyl(fluoromethyl)phosphane;1,2,3,4,5-pentafluoro-6-(2-fluorophenyl)benzene (CID 87882891) is butyl(fluoromethyl)phosphane;1,2,3,4,5-pentafluoro-6-(2-fluorophenyl)benzene.
What is the SMILES notation for butyl(fluoromethyl)phosphane;1,2,3,4,5-pentafluoro-6-(2-fluorophenyl)benzene?
The canonical SMILES for butyl(fluoromethyl)phosphane;1,2,3,4,5-pentafluoro-6-(2-fluorophenyl)benzene is CCCCPCF.Fc1ccccc1-c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of butyl(fluoromethyl)phosphane;1,2,3,4,5-pentafluoro-6-(2-fluorophenyl)benzene?
The InChIKey is JMCFQVUUTLLTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4F6.C5H12FP/c13-6-4-2-1-3-5(6)7-8(14)10(16)12(18)11(17)9(7)15;1-2-3-4-7-5-6/h1-4H;7H,2-5H2,1H3.
What are the key properties of butyl(fluoromethyl)phosphane;1,2,3,4,5-pentafluoro-6-(2-fluorophenyl)benzene?
butyl(fluoromethyl)phosphane;1,2,3,4,5-pentafluoro-6-(2-fluorophenyl)benzene has a molecular weight of 384.28 g/mol, XLogP of 6.58, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(fluoromethyl)phosphane;1,2,3,4,5-pentafluoro-6-(2-fluorophenyl)benzene is sourced from PubChem (CID 87882891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).