[4-fluoro-2-(2-methylpentan-2-yl)phenyl]phosphane

C12H18FP — CID 174683734

IUPAC[4-fluoro-2-(2-methylpentan-2-yl)phenyl]phosphane
SMILESCCCC(C)(C)c1cc(F)ccc1P
InChIInChI=1S/C12H18FP/c1-4-7-12(2,3)10-8-9(13)5-6-11(10)14/h5-6,8H,4,7,14H2,1-3H3
InChIKeyRCEVJAWRVGGUDA-UHFFFAOYSA-N
MW212.25 g/mol
LogP3.40
Rot. Bonds3

About [4-fluoro-2-(2-methylpentan-2-yl)phenyl]phosphane

[4-fluoro-2-(2-methylpentan-2-yl)phenyl]phosphane (PubChem CID 174683734) has the molecular formula C12H18FP and a molecular weight of 212.25 g/mol. Its IUPAC name is [4-fluoro-2-(2-methylpentan-2-yl)phenyl]phosphane.

Molecular Properties

Compound Name[4-fluoro-2-(2-methylpentan-2-yl)phenyl]phosphane
PubChem CID174683734
Molecular FormulaC12H18FP
Molecular Weight212.25 g/mol
Exact Mass212.11
IUPAC Name[4-fluoro-2-(2-methylpentan-2-yl)phenyl]phosphane
SMILESCCCC(C)(C)c1cc(F)ccc1P
InChIInChI=1S/C12H18FP/c1-4-7-12(2,3)10-8-9(13)5-6-11(10)14/h5-6,8H,4,7,14H2,1-3H3
InChIKeyRCEVJAWRVGGUDA-UHFFFAOYSA-N
XLogP3.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [4-fluoro-2-(2-methylpentan-2-yl)phenyl]phosphane 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

4-fluoro-2-(2-methylpentan-2-yl)phenol
CID 87577772
2,4-difluoro-1-(2-methylpentan-2-yl)benzene
CID 126704363
2,4-difluoro-1-(2-methylhexan-2-yl)benzene
CID 166973409
[3,5-difluoro-2-(2-methylpentan-2-yl)phenyl]phosphane
CID 174672200
4-(2,5-difluorophenyl)heptan-4-ol
CID 114866152
N-tert-butyl-3-(5-fluoro-2-methylphenyl)-3-methylbutan-1-amine
CID 81022530
2-(2,5-difluorophenyl)-2-fluoropentan-1-amine
CID 112567838
2,6-bis(2-methylpentan-2-yl)phenol
CID 19809768
3-(2,4-difluorophenyl)-3-methylbutan-1-ol
CID 79838092
3-(5-fluoro-2-methylphenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 81035050
2-[2-(2,5-difluorophenyl)propan-2-yl]-1,4-difluorobenzene
CID 90465421
3-(2,5-difluorophenyl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 79830832

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-2-(2-methylpentan-2-yl)phenyl]phosphane?
The IUPAC name of [4-fluoro-2-(2-methylpentan-2-yl)phenyl]phosphane (CID 174683734) is [4-fluoro-2-(2-methylpentan-2-yl)phenyl]phosphane.
What is the SMILES notation for [4-fluoro-2-(2-methylpentan-2-yl)phenyl]phosphane?
The canonical SMILES for [4-fluoro-2-(2-methylpentan-2-yl)phenyl]phosphane is CCCC(C)(C)c1cc(F)ccc1P.
What is the InChIKey of [4-fluoro-2-(2-methylpentan-2-yl)phenyl]phosphane?
The InChIKey is RCEVJAWRVGGUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FP/c1-4-7-12(2,3)10-8-9(13)5-6-11(10)14/h5-6,8H,4,7,14H2,1-3H3.
What are the key properties of [4-fluoro-2-(2-methylpentan-2-yl)phenyl]phosphane?
[4-fluoro-2-(2-methylpentan-2-yl)phenyl]phosphane has a molecular weight of 212.25 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-2-(2-methylpentan-2-yl)phenyl]phosphane is sourced from PubChem (CID 174683734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).