[(4-ethyl-4-methylcyclohexyl)-difluoromethyl]-fluorophosphinic acid

C10H18F3O2P — CID 23597222

IUPAC[(4-ethyl-4-methylcyclohexyl)-difluoromethyl]-fluorophosphinic acid
SMILESCCC1(C)CCC(C(F)(F)P(=O)(O)F)CC1
InChIInChI=1S/C10H18F3O2P/c1-3-9(2)6-4-8(5-7-9)10(11,12)16(13,14)15/h8H,3-7H2,1-2H3,(H,14,15)
InChIKeyAYIAHLCSWQRKSV-UHFFFAOYSA-N
MW258.22 g/mol
LogP4.34
Rot. Bonds3

About [(4-ethyl-4-methylcyclohexyl)-difluoromethyl]-fluorophosphinic acid

[(4-ethyl-4-methylcyclohexyl)-difluoromethyl]-fluorophosphinic acid (PubChem CID 23597222) has the molecular formula C10H18F3O2P and a molecular weight of 258.22 g/mol. Its IUPAC name is [(4-ethyl-4-methylcyclohexyl)-difluoromethyl]-fluorophosphinic acid.

Molecular Properties

Compound Name[(4-ethyl-4-methylcyclohexyl)-difluoromethyl]-fluorophosphinic acid
PubChem CID23597222
Molecular FormulaC10H18F3O2P
Molecular Weight258.22 g/mol
Exact Mass258.10
IUPAC Name[(4-ethyl-4-methylcyclohexyl)-difluoromethyl]-fluorophosphinic acid
SMILESCCC1(C)CCC(C(F)(F)P(=O)(O)F)CC1
InChIInChI=1S/C10H18F3O2P/c1-3-9(2)6-4-8(5-7-9)10(11,12)16(13,14)15/h8H,3-7H2,1-2H3,(H,14,15)
InChIKeyAYIAHLCSWQRKSV-UHFFFAOYSA-N
XLogP4.34
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.22
LogP ≤ 54.34
H-Bond Donors ≤ 51
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 [(4-ethyl-4-methylcyclohexyl)-difluoromethyl]-fluorophosphinic acid?
The IUPAC name of [(4-ethyl-4-methylcyclohexyl)-difluoromethyl]-fluorophosphinic acid (CID 23597222) is [(4-ethyl-4-methylcyclohexyl)-difluoromethyl]-fluorophosphinic acid.
What is the SMILES notation for [(4-ethyl-4-methylcyclohexyl)-difluoromethyl]-fluorophosphinic acid?
The canonical SMILES for [(4-ethyl-4-methylcyclohexyl)-difluoromethyl]-fluorophosphinic acid is CCC1(C)CCC(C(F)(F)P(=O)(O)F)CC1.
What is the InChIKey of [(4-ethyl-4-methylcyclohexyl)-difluoromethyl]-fluorophosphinic acid?
The InChIKey is AYIAHLCSWQRKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3O2P/c1-3-9(2)6-4-8(5-7-9)10(11,12)16(13,14)15/h8H,3-7H2,1-2H3,(H,14,15).
What are the key properties of [(4-ethyl-4-methylcyclohexyl)-difluoromethyl]-fluorophosphinic acid?
[(4-ethyl-4-methylcyclohexyl)-difluoromethyl]-fluorophosphinic acid has a molecular weight of 258.22 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-ethyl-4-methylcyclohexyl)-difluoromethyl]-fluorophosphinic acid is sourced from PubChem (CID 23597222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).