[3,5-difluoro-2-(2-methylpentan-2-yl)phenyl]phosphane

C12H17F2P — CID 174672200

IUPAC[3,5-difluoro-2-(2-methylpentan-2-yl)phenyl]phosphane
SMILESCCCC(C)(C)c1c(F)cc(F)cc1P
InChIInChI=1S/C12H17F2P/c1-4-5-12(2,3)11-9(14)6-8(13)7-10(11)15/h6-7H,4-5,15H2,1-3H3
InChIKeyRTEYLEWCICJFMH-UHFFFAOYSA-N
MW230.24 g/mol
LogP3.54
Rot. Bonds3

About [3,5-difluoro-2-(2-methylpentan-2-yl)phenyl]phosphane

[3,5-difluoro-2-(2-methylpentan-2-yl)phenyl]phosphane (PubChem CID 174672200) has the molecular formula C12H17F2P and a molecular weight of 230.24 g/mol. Its IUPAC name is [3,5-difluoro-2-(2-methylpentan-2-yl)phenyl]phosphane.

Molecular Properties

Compound Name[3,5-difluoro-2-(2-methylpentan-2-yl)phenyl]phosphane
PubChem CID174672200
Molecular FormulaC12H17F2P
Molecular Weight230.24 g/mol
Exact Mass230.10
IUPAC Name[3,5-difluoro-2-(2-methylpentan-2-yl)phenyl]phosphane
SMILESCCCC(C)(C)c1c(F)cc(F)cc1P
InChIInChI=1S/C12H17F2P/c1-4-5-12(2,3)11-9(14)6-8(13)7-10(11)15/h6-7H,4-5,15H2,1-3H3
InChIKeyRTEYLEWCICJFMH-UHFFFAOYSA-N
XLogP3.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,4-difluoro-1-(2-methylpentan-2-yl)benzene
CID 126704363
[4-fluoro-2-(2-methylpentan-2-yl)phenyl]phosphane
CID 174683734
2-methyl-2-(2,4,6-trifluorophenyl)propan-1-amine
CID 83412673
N-(2-methoxyethyl)-3-methyl-3-(2,4,6-trifluorophenyl)butan-1-amine
CID 79830845
2-chloro-2-(2,4,6-trifluorophenyl)pentanoic acid
CID 150151547
2,4-difluoro-1-(2-methylhexan-2-yl)benzene
CID 166973409
2-(2-ethoxyundecan-2-yl)-1,3,5-trifluorobenzene
CID 162115908
3,5-difluoro-2-(1-hydroxy-2-methylpropan-2-yl)phenol
CID 117290714
5-fluoro-2-(2-methylpentan-2-yl)pyrimidine
CID 146430890
(2-tert-butyl-3,5-difluorophenyl)methanol
CID 166835720
2,3-bis(2-methylpentan-2-yl)benzene-1,4-diol
CID 22146399
4-fluoro-2-(2-methylpentan-2-yl)phenol
CID 87577772

Frequently Asked Questions

What is the IUPAC name of [3,5-difluoro-2-(2-methylpentan-2-yl)phenyl]phosphane?
The IUPAC name of [3,5-difluoro-2-(2-methylpentan-2-yl)phenyl]phosphane (CID 174672200) is [3,5-difluoro-2-(2-methylpentan-2-yl)phenyl]phosphane.
What is the SMILES notation for [3,5-difluoro-2-(2-methylpentan-2-yl)phenyl]phosphane?
The canonical SMILES for [3,5-difluoro-2-(2-methylpentan-2-yl)phenyl]phosphane is CCCC(C)(C)c1c(F)cc(F)cc1P.
What is the InChIKey of [3,5-difluoro-2-(2-methylpentan-2-yl)phenyl]phosphane?
The InChIKey is RTEYLEWCICJFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2P/c1-4-5-12(2,3)11-9(14)6-8(13)7-10(11)15/h6-7H,4-5,15H2,1-3H3.
What are the key properties of [3,5-difluoro-2-(2-methylpentan-2-yl)phenyl]phosphane?
[3,5-difluoro-2-(2-methylpentan-2-yl)phenyl]phosphane has a molecular weight of 230.24 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-difluoro-2-(2-methylpentan-2-yl)phenyl]phosphane is sourced from PubChem (CID 174672200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).