(3-cyclohexyl-1,1,1-trifluoropentan-3-yl)phosphonic acid

C11H20F3O3P — CID 135236419

IUPAC(3-cyclohexyl-1,1,1-trifluoropentan-3-yl)phosphonic acid
SMILESCCC(CC(F)(F)F)(C1CCCCC1)P(=O)(O)O
InChIInChI=1S/C11H20F3O3P/c1-2-10(18(15,16)17,8-11(12,13)14)9-6-4-3-5-7-9/h9H,2-8H2,1H3,(H2,15,16,17)
InChIKeyDOAZZBZCDRLHGA-UHFFFAOYSA-N
MW288.25 g/mol
LogP3.85
Rot. Bonds4

About (3-cyclohexyl-1,1,1-trifluoropentan-3-yl)phosphonic acid

(3-cyclohexyl-1,1,1-trifluoropentan-3-yl)phosphonic acid (PubChem CID 135236419) has the molecular formula C11H20F3O3P and a molecular weight of 288.25 g/mol. Its IUPAC name is (3-cyclohexyl-1,1,1-trifluoropentan-3-yl)phosphonic acid.

Molecular Properties

Compound Name(3-cyclohexyl-1,1,1-trifluoropentan-3-yl)phosphonic acid
PubChem CID135236419
Molecular FormulaC11H20F3O3P
Molecular Weight288.25 g/mol
Exact Mass288.11
IUPAC Name(3-cyclohexyl-1,1,1-trifluoropentan-3-yl)phosphonic acid
SMILESCCC(CC(F)(F)F)(C1CCCCC1)P(=O)(O)O
InChIInChI=1S/C11H20F3O3P/c1-2-10(18(15,16)17,8-11(12,13)14)9-6-4-3-5-7-9/h9H,2-8H2,1H3,(H2,15,16,17)
InChIKeyDOAZZBZCDRLHGA-UHFFFAOYSA-N
XLogP3.85
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 53.85
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 (3-cyclohexyl-1,1,1-trifluoropentan-3-yl)phosphonic acid?
The IUPAC name of (3-cyclohexyl-1,1,1-trifluoropentan-3-yl)phosphonic acid (CID 135236419) is (3-cyclohexyl-1,1,1-trifluoropentan-3-yl)phosphonic acid.
What is the SMILES notation for (3-cyclohexyl-1,1,1-trifluoropentan-3-yl)phosphonic acid?
The canonical SMILES for (3-cyclohexyl-1,1,1-trifluoropentan-3-yl)phosphonic acid is CCC(CC(F)(F)F)(C1CCCCC1)P(=O)(O)O.
What is the InChIKey of (3-cyclohexyl-1,1,1-trifluoropentan-3-yl)phosphonic acid?
The InChIKey is DOAZZBZCDRLHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3O3P/c1-2-10(18(15,16)17,8-11(12,13)14)9-6-4-3-5-7-9/h9H,2-8H2,1H3,(H2,15,16,17).
What are the key properties of (3-cyclohexyl-1,1,1-trifluoropentan-3-yl)phosphonic acid?
(3-cyclohexyl-1,1,1-trifluoropentan-3-yl)phosphonic acid has a molecular weight of 288.25 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclohexyl-1,1,1-trifluoropentan-3-yl)phosphonic acid is sourced from PubChem (CID 135236419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).