fluoro-(2,4,6-tritert-butylphenyl)iminophosphane

C18H29FNP — CID 14492991

IUPACfluoro-(2,4,6-tritert-butylphenyl)iminophosphane
SMILESCC(C)(C)c1cc(C(C)(C)C)c(/N=P/F)c(C(C)(C)C)c1
InChIInChI=1S/C18H29FNP/c1-16(2,3)12-10-13(17(4,5)6)15(20-21-19)14(11-12)18(7,8)9/h10-11H,1-9H3
InChIKeyYXAZCLSIPIAEDD-UHFFFAOYSA-N
MW309.41 g/mol
LogP7.22
Rot. Bonds1

About fluoro-(2,4,6-tritert-butylphenyl)iminophosphane

fluoro-(2,4,6-tritert-butylphenyl)iminophosphane (PubChem CID 14492991) has the molecular formula C18H29FNP and a molecular weight of 309.41 g/mol. Its IUPAC name is fluoro-(2,4,6-tritert-butylphenyl)iminophosphane.

Molecular Properties

Compound Namefluoro-(2,4,6-tritert-butylphenyl)iminophosphane
PubChem CID14492991
Molecular FormulaC18H29FNP
Molecular Weight309.41 g/mol
Exact Mass309.20
IUPAC Namefluoro-(2,4,6-tritert-butylphenyl)iminophosphane
SMILESCC(C)(C)c1cc(C(C)(C)C)c(/N=P/F)c(C(C)(C)C)c1
InChIInChI=1S/C18H29FNP/c1-16(2,3)12-10-13(17(4,5)6)15(20-21-19)14(11-12)18(7,8)9/h10-11H,1-9H3
InChIKeyYXAZCLSIPIAEDD-UHFFFAOYSA-N
XLogP7.22
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.41
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2,6-ditert-butyl-4-methylphenoxy)-(2,4,6-tritert-butylphenyl)iminophosphane
CID 2784577
1,3,5-tritert-butyl-2-isothiocyanatobenzene
CID 13308804
1,2,3,5-tetratert-butylbenzene
CID 18679123
[(Z)-1-iodo-1-methoxybut-1-en-2-yl]-(2,4,6-tritert-butylphenyl)iminophosphane
CID 23419655
(2,4,6-tritert-butylphenyl) nitrite
CID 14950011
1,5-ditert-butyl-3-chloro-2-fluorobenzene
CID 140644518
terbium;bis(1,3,5-tritert-butylbenzene)
CID 134902614
bromomethylidene-(2,4,6-tritert-butylphenyl)phosphane
CID 11003156
(2,7-ditert-butylfluoren-9-ylidene)-(2,4,6-tritert-butylphenyl)phosphane
CID 15821264
CID 15962849
CID 15962849
ditert-butyl-(2,4,6-tritert-butylphenyl)borane
CID 164988762
(2,4,6-tritert-butylphenyl)phosphinite
CID 101376141

Frequently Asked Questions

What is the IUPAC name of fluoro-(2,4,6-tritert-butylphenyl)iminophosphane?
The IUPAC name of fluoro-(2,4,6-tritert-butylphenyl)iminophosphane (CID 14492991) is fluoro-(2,4,6-tritert-butylphenyl)iminophosphane.
What is the SMILES notation for fluoro-(2,4,6-tritert-butylphenyl)iminophosphane?
The canonical SMILES for fluoro-(2,4,6-tritert-butylphenyl)iminophosphane is CC(C)(C)c1cc(C(C)(C)C)c(/N=P/F)c(C(C)(C)C)c1.
What is the InChIKey of fluoro-(2,4,6-tritert-butylphenyl)iminophosphane?
The InChIKey is YXAZCLSIPIAEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FNP/c1-16(2,3)12-10-13(17(4,5)6)15(20-21-19)14(11-12)18(7,8)9/h10-11H,1-9H3.
What are the key properties of fluoro-(2,4,6-tritert-butylphenyl)iminophosphane?
fluoro-(2,4,6-tritert-butylphenyl)iminophosphane has a molecular weight of 309.41 g/mol, XLogP of 7.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro-(2,4,6-tritert-butylphenyl)iminophosphane is sourced from PubChem (CID 14492991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).