(4-cyclopentyl-2-undecan-2-ylphenoxy)-difluorophosphane

C22H35F2OP — CID 22166123

IUPAC(4-cyclopentyl-2-undecan-2-ylphenoxy)-difluorophosphane
SMILESCCCCCCCCCC(C)c1cc(C2CCCC2)ccc1OP(F)F
InChIInChI=1S/C22H35F2OP/c1-3-4-5-6-7-8-9-12-18(2)21-17-20(19-13-10-11-14-19)15-16-22(21)25-26(23)24/h15-19H,3-14H2,1-2H3
InChIKeyCLLFPFPITGKPMI-UHFFFAOYSA-N
MW384.49 g/mol
LogP9.13
Rot. Bonds12

About (4-cyclopentyl-2-undecan-2-ylphenoxy)-difluorophosphane

(4-cyclopentyl-2-undecan-2-ylphenoxy)-difluorophosphane (PubChem CID 22166123) has the molecular formula C22H35F2OP and a molecular weight of 384.49 g/mol. Its IUPAC name is (4-cyclopentyl-2-undecan-2-ylphenoxy)-difluorophosphane.

Molecular Properties

Compound Name(4-cyclopentyl-2-undecan-2-ylphenoxy)-difluorophosphane
PubChem CID22166123
Molecular FormulaC22H35F2OP
Molecular Weight384.49 g/mol
Exact Mass384.24
IUPAC Name(4-cyclopentyl-2-undecan-2-ylphenoxy)-difluorophosphane
SMILESCCCCCCCCCC(C)c1cc(C2CCCC2)ccc1OP(F)F
InChIInChI=1S/C22H35F2OP/c1-3-4-5-6-7-8-9-12-18(2)21-17-20(19-13-10-11-14-19)15-16-22(21)25-26(23)24/h15-19H,3-14H2,1-2H3
InChIKeyCLLFPFPITGKPMI-UHFFFAOYSA-N
XLogP9.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.49
LogP ≤ 59.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(5-cyclopentyl-2-methoxyphenyl)propan-1-ol
CID 117341035
1-(4-cyclohexylphenyl)hexan-1-amine
CID 43125388
2-hexan-2-yl-4-[4-(4-hydroxyphenyl)cyclohexyl]phenol
CID 68965839
1-(4-cyclohexylphenyl)octan-1-ol
CID 63426970
1-(4-cyclopentylphenyl)hexan-1-ol
CID 91233072
4-cyclohexyl-2-fluoro-1-pentylbenzene
CID 59931429
4-(4-cyclohexylphenyl)-2-fluoro-1-octoxybenzene
CID 173349723
4-tert-butyl-2-cyclohexyl-6-hexadecan-2-ylphenol
CID 18961339
4-(4-cyclohexylphenyl)-2-fluoro-1-pentoxybenzene
CID 173349754
3-[2-methoxy-5-(oxan-4-yl)phenyl]butan-1-amine
CID 117413737
ethyl 2-(5-cyclopentyl-2-methoxyphenyl)-2-hydroxyacetate
CID 117446205
1-cyclohexyl-4-heptoxybenzene
CID 56628106

Frequently Asked Questions

What is the IUPAC name of (4-cyclopentyl-2-undecan-2-ylphenoxy)-difluorophosphane?
The IUPAC name of (4-cyclopentyl-2-undecan-2-ylphenoxy)-difluorophosphane (CID 22166123) is (4-cyclopentyl-2-undecan-2-ylphenoxy)-difluorophosphane.
What is the SMILES notation for (4-cyclopentyl-2-undecan-2-ylphenoxy)-difluorophosphane?
The canonical SMILES for (4-cyclopentyl-2-undecan-2-ylphenoxy)-difluorophosphane is CCCCCCCCCC(C)c1cc(C2CCCC2)ccc1OP(F)F.
What is the InChIKey of (4-cyclopentyl-2-undecan-2-ylphenoxy)-difluorophosphane?
The InChIKey is CLLFPFPITGKPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35F2OP/c1-3-4-5-6-7-8-9-12-18(2)21-17-20(19-13-10-11-14-19)15-16-22(21)25-26(23)24/h15-19H,3-14H2,1-2H3.
What are the key properties of (4-cyclopentyl-2-undecan-2-ylphenoxy)-difluorophosphane?
(4-cyclopentyl-2-undecan-2-ylphenoxy)-difluorophosphane has a molecular weight of 384.49 g/mol, XLogP of 9.13, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopentyl-2-undecan-2-ylphenoxy)-difluorophosphane is sourced from PubChem (CID 22166123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).