[1-(2-fluorophenyl)-2-phenylcyclohexyl]phosphonic acid

C18H20FO3P — CID 66796824

IUPAC[1-(2-fluorophenyl)-2-phenylcyclohexyl]phosphonic acid
SMILESO=P(O)(O)C1(c2ccccc2F)CCCCC1c1ccccc1
InChIInChI=1S/C18H20FO3P/c19-17-12-5-4-11-16(17)18(23(20,21)22)13-7-6-10-15(18)14-8-2-1-3-9-14/h1-5,8-9,11-12,15H,6-7,10,13H2,(H2,20,21,22)
InChIKeyIEYROBXTZPBHCT-UHFFFAOYSA-N
MW334.33 g/mol
LogP4.56
Rot. Bonds3

About [1-(2-fluorophenyl)-2-phenylcyclohexyl]phosphonic acid

[1-(2-fluorophenyl)-2-phenylcyclohexyl]phosphonic acid (PubChem CID 66796824) has the molecular formula C18H20FO3P and a molecular weight of 334.33 g/mol. Its IUPAC name is [1-(2-fluorophenyl)-2-phenylcyclohexyl]phosphonic acid.

Molecular Properties

Compound Name[1-(2-fluorophenyl)-2-phenylcyclohexyl]phosphonic acid
PubChem CID66796824
Molecular FormulaC18H20FO3P
Molecular Weight334.33 g/mol
Exact Mass334.11
IUPAC Name[1-(2-fluorophenyl)-2-phenylcyclohexyl]phosphonic acid
SMILESO=P(O)(O)C1(c2ccccc2F)CCCCC1c1ccccc1
InChIInChI=1S/C18H20FO3P/c19-17-12-5-4-11-16(17)18(23(20,21)22)13-7-6-10-15(18)14-8-2-1-3-9-14/h1-5,8-9,11-12,15H,6-7,10,13H2,(H2,20,21,22)
InChIKeyIEYROBXTZPBHCT-UHFFFAOYSA-N
XLogP4.56
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-hydroxy-2-phenylcyclohexane-1-sulfonic acid
CID 103574511
trans-(1R,2S)-1-amino-2-phenylcycloheptane-1-carboxylic acid
CID 34176616
2-fluoro-N-[1-(2-fluorophenyl)cyclopentyl]benzamide
CID 110444138
1-fluoro-2-[1-(2-fluorophenyl)cyclohexyl]benzene
CID 22420549
1-(3-fluoro-5-methylphenyl)-2-phenylcyclohexan-1-ol
CID 79691792
1-methyl-2-phenylcyclopentan-1-ol
CID 102035822
2-[(1S,2S)-1-hydroxy-2-phenylcyclohexyl]acetic acid
CID 40501081
2-phenyl-1-(2,2,2-trifluoroethylamino)cyclohexane-1-carboxylic acid
CID 105401946
1-(2-chloro-5-fluorophenyl)-2-phenylcyclohexan-1-ol
CID 105393716
N-[1-(2-fluorophenyl)cyclopropyl]cyclohexanecarboxamide
CID 110482201
(2S,3S,4S)-2-diphenylphosphoryl-4-phenyl-1-oxaspiro[2.5]octane
CID 101097556
N-methyl-2-phenyl-1-(trifluoromethyl)cyclohexan-1-amine
CID 105403349

Frequently Asked Questions

What is the IUPAC name of [1-(2-fluorophenyl)-2-phenylcyclohexyl]phosphonic acid?
The IUPAC name of [1-(2-fluorophenyl)-2-phenylcyclohexyl]phosphonic acid (CID 66796824) is [1-(2-fluorophenyl)-2-phenylcyclohexyl]phosphonic acid.
What is the SMILES notation for [1-(2-fluorophenyl)-2-phenylcyclohexyl]phosphonic acid?
The canonical SMILES for [1-(2-fluorophenyl)-2-phenylcyclohexyl]phosphonic acid is O=P(O)(O)C1(c2ccccc2F)CCCCC1c1ccccc1.
What is the InChIKey of [1-(2-fluorophenyl)-2-phenylcyclohexyl]phosphonic acid?
The InChIKey is IEYROBXTZPBHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FO3P/c19-17-12-5-4-11-16(17)18(23(20,21)22)13-7-6-10-15(18)14-8-2-1-3-9-14/h1-5,8-9,11-12,15H,6-7,10,13H2,(H2,20,21,22).
What are the key properties of [1-(2-fluorophenyl)-2-phenylcyclohexyl]phosphonic acid?
[1-(2-fluorophenyl)-2-phenylcyclohexyl]phosphonic acid has a molecular weight of 334.33 g/mol, XLogP of 4.56, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluorophenyl)-2-phenylcyclohexyl]phosphonic acid is sourced from PubChem (CID 66796824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).