[1,1,1-trifluoro-3-(2-fluorocyclohexyl)pentan-3-yl]phosphonic acid

C11H19F4O3P — CID 135236410

IUPAC[1,1,1-trifluoro-3-(2-fluorocyclohexyl)pentan-3-yl]phosphonic acid
SMILESCCC(CC(F)(F)F)(C1CCCCC1F)P(=O)(O)O
InChIInChI=1S/C11H19F4O3P/c1-2-10(19(16,17)18,7-11(13,14)15)8-5-3-4-6-9(8)12/h8-9H,2-7H2,1H3,(H2,16,17,18)
InChIKeyIMQAZDQQLSRRHV-UHFFFAOYSA-N
MW306.24 g/mol
LogP3.79
Rot. Bonds4

About [1,1,1-trifluoro-3-(2-fluorocyclohexyl)pentan-3-yl]phosphonic acid

[1,1,1-trifluoro-3-(2-fluorocyclohexyl)pentan-3-yl]phosphonic acid (PubChem CID 135236410) has the molecular formula C11H19F4O3P and a molecular weight of 306.24 g/mol. Its IUPAC name is [1,1,1-trifluoro-3-(2-fluorocyclohexyl)pentan-3-yl]phosphonic acid.

Molecular Properties

Compound Name[1,1,1-trifluoro-3-(2-fluorocyclohexyl)pentan-3-yl]phosphonic acid
PubChem CID135236410
Molecular FormulaC11H19F4O3P
Molecular Weight306.24 g/mol
Exact Mass306.10
IUPAC Name[1,1,1-trifluoro-3-(2-fluorocyclohexyl)pentan-3-yl]phosphonic acid
SMILESCCC(CC(F)(F)F)(C1CCCCC1F)P(=O)(O)O
InChIInChI=1S/C11H19F4O3P/c1-2-10(19(16,17)18,7-11(13,14)15)8-5-3-4-6-9(8)12/h8-9H,2-7H2,1H3,(H2,16,17,18)
InChIKeyIMQAZDQQLSRRHV-UHFFFAOYSA-N
XLogP3.79
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.24
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1,1,1-trifluoro-3-(2-fluorocyclohexyl)pentan-3-yl]phosphonic acid?
The IUPAC name of [1,1,1-trifluoro-3-(2-fluorocyclohexyl)pentan-3-yl]phosphonic acid (CID 135236410) is [1,1,1-trifluoro-3-(2-fluorocyclohexyl)pentan-3-yl]phosphonic acid.
What is the SMILES notation for [1,1,1-trifluoro-3-(2-fluorocyclohexyl)pentan-3-yl]phosphonic acid?
The canonical SMILES for [1,1,1-trifluoro-3-(2-fluorocyclohexyl)pentan-3-yl]phosphonic acid is CCC(CC(F)(F)F)(C1CCCCC1F)P(=O)(O)O.
What is the InChIKey of [1,1,1-trifluoro-3-(2-fluorocyclohexyl)pentan-3-yl]phosphonic acid?
The InChIKey is IMQAZDQQLSRRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F4O3P/c1-2-10(19(16,17)18,7-11(13,14)15)8-5-3-4-6-9(8)12/h8-9H,2-7H2,1H3,(H2,16,17,18).
What are the key properties of [1,1,1-trifluoro-3-(2-fluorocyclohexyl)pentan-3-yl]phosphonic acid?
[1,1,1-trifluoro-3-(2-fluorocyclohexyl)pentan-3-yl]phosphonic acid has a molecular weight of 306.24 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1,1,1-trifluoro-3-(2-fluorocyclohexyl)pentan-3-yl]phosphonic acid is sourced from PubChem (CID 135236410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).