4-[4-[4-(3,4-difluoro-5-phosphanylphenyl)-3-fluorophenyl]cyclohexyl]cyclohexan-1-ol

C24H28F3OP — CID 134374865

IUPAC4-[4-[4-(3,4-difluoro-5-phosphanylphenyl)-3-fluorophenyl]cyclohexyl]cyclohexan-1-ol
SMILESOC1CCC(C2CCC(c3ccc(-c4cc(F)c(F)c(P)c4)c(F)c3)CC2)CC1
InChIInChI=1S/C24H28F3OP/c25-21-11-17(7-10-20(21)18-12-22(26)24(27)23(29)13-18)16-3-1-14(2-4-16)15-5-8-19(28)9-6-15/h7,10-16,19,28H,1-6,8-9,29H2
InChIKeyKDULVGAIIOCDIV-UHFFFAOYSA-N
MW420.46 g/mol
LogP6.10
Rot. Bonds3

About 4-[4-[4-(3,4-difluoro-5-phosphanylphenyl)-3-fluorophenyl]cyclohexyl]cyclohexan-1-ol

4-[4-[4-(3,4-difluoro-5-phosphanylphenyl)-3-fluorophenyl]cyclohexyl]cyclohexan-1-ol (PubChem CID 134374865) has the molecular formula C24H28F3OP and a molecular weight of 420.46 g/mol. Its IUPAC name is 4-[4-[4-(3,4-difluoro-5-phosphanylphenyl)-3-fluorophenyl]cyclohexyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[4-[4-(3,4-difluoro-5-phosphanylphenyl)-3-fluorophenyl]cyclohexyl]cyclohexan-1-ol
PubChem CID134374865
Molecular FormulaC24H28F3OP
Molecular Weight420.46 g/mol
Exact Mass420.18
IUPAC Name4-[4-[4-(3,4-difluoro-5-phosphanylphenyl)-3-fluorophenyl]cyclohexyl]cyclohexan-1-ol
SMILESOC1CCC(C2CCC(c3ccc(-c4cc(F)c(F)c(P)c4)c(F)c3)CC2)CC1
InChIInChI=1S/C24H28F3OP/c25-21-11-17(7-10-20(21)18-12-22(26)24(27)23(29)13-18)16-3-1-14(2-4-16)15-5-8-19(28)9-6-15/h7,10-16,19,28H,1-6,8-9,29H2
InChIKeyKDULVGAIIOCDIV-UHFFFAOYSA-N
XLogP6.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.46
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]cyclohexan-1-ol
CID 141391242
1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene
CID 15389837
4-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]cyclohexane-1-thiol
CID 134374972
2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22383566
4-[4-[4-(3,4-difluoro-5-methylphenyl)-3-fluorophenyl]cycloheptyl]cyclohexane-1-thiol
CID 139333213
4-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]cyclohexan-1-one
CID 18787931
1,2,3-trifluoro-5-[2-fluoro-4-(4-prop-1-enylcyclohexyl)phenyl]benzene
CID 54486923
carbonic acid;4-cyclopropyl-2-fluoro-1-phenylbenzene
CID 121300210
1,3-difluoro-5-[2-fluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]-2-methylbenzene
CID 126551441
1,3-difluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]-2-(1,1,2,3,3,3-hexafluoropropyl)benzene
CID 22080196
[4-[4-[3-fluoro-4-(4-methylphenyl)phenyl]cyclohexyl]cyclohexyl]methylsilane
CID 137329327
2-chloro-1,3-difluoro-5-[2-fluoro-4-(4-methylcyclohexyl)phenyl]benzene;molecular hydrogen
CID 157087004

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(3,4-difluoro-5-phosphanylphenyl)-3-fluorophenyl]cyclohexyl]cyclohexan-1-ol?
The IUPAC name of 4-[4-[4-(3,4-difluoro-5-phosphanylphenyl)-3-fluorophenyl]cyclohexyl]cyclohexan-1-ol (CID 134374865) is 4-[4-[4-(3,4-difluoro-5-phosphanylphenyl)-3-fluorophenyl]cyclohexyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[4-[4-(3,4-difluoro-5-phosphanylphenyl)-3-fluorophenyl]cyclohexyl]cyclohexan-1-ol?
The canonical SMILES for 4-[4-[4-(3,4-difluoro-5-phosphanylphenyl)-3-fluorophenyl]cyclohexyl]cyclohexan-1-ol is OC1CCC(C2CCC(c3ccc(-c4cc(F)c(F)c(P)c4)c(F)c3)CC2)CC1.
What is the InChIKey of 4-[4-[4-(3,4-difluoro-5-phosphanylphenyl)-3-fluorophenyl]cyclohexyl]cyclohexan-1-ol?
The InChIKey is KDULVGAIIOCDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3OP/c25-21-11-17(7-10-20(21)18-12-22(26)24(27)23(29)13-18)16-3-1-14(2-4-16)15-5-8-19(28)9-6-15/h7,10-16,19,28H,1-6,8-9,29H2.
What are the key properties of 4-[4-[4-(3,4-difluoro-5-phosphanylphenyl)-3-fluorophenyl]cyclohexyl]cyclohexan-1-ol?
4-[4-[4-(3,4-difluoro-5-phosphanylphenyl)-3-fluorophenyl]cyclohexyl]cyclohexan-1-ol has a molecular weight of 420.46 g/mol, XLogP of 6.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(3,4-difluoro-5-phosphanylphenyl)-3-fluorophenyl]cyclohexyl]cyclohexan-1-ol is sourced from PubChem (CID 134374865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).