3-[fluoro(propan-2-yl)phosphoryl]oxypropylcyclopentane

C11H22FO2P — CID 170850771

IUPAC3-[fluoro(propan-2-yl)phosphoryl]oxypropylcyclopentane
SMILESCC(C)P(=O)(F)OCCCC1CCCC1
InChIInChI=1S/C11H22FO2P/c1-10(2)15(12,13)14-9-5-8-11-6-3-4-7-11/h10-11H,3-9H2,1-2H3
InChIKeyLZCLGALFDVUQDA-UHFFFAOYSA-N
MW236.27 g/mol
LogP4.54
Rot. Bonds6

About 3-[fluoro(propan-2-yl)phosphoryl]oxypropylcyclopentane

3-[fluoro(propan-2-yl)phosphoryl]oxypropylcyclopentane (PubChem CID 170850771) has the molecular formula C11H22FO2P and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-[fluoro(propan-2-yl)phosphoryl]oxypropylcyclopentane.

Molecular Properties

Compound Name3-[fluoro(propan-2-yl)phosphoryl]oxypropylcyclopentane
PubChem CID170850771
Molecular FormulaC11H22FO2P
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name3-[fluoro(propan-2-yl)phosphoryl]oxypropylcyclopentane
SMILESCC(C)P(=O)(F)OCCCC1CCCC1
InChIInChI=1S/C11H22FO2P/c1-10(2)15(12,13)14-9-5-8-11-6-3-4-7-11/h10-11H,3-9H2,1-2H3
InChIKeyLZCLGALFDVUQDA-UHFFFAOYSA-N
XLogP4.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[fluoro(propan-2-yl)phosphoryl]oxypropane
CID 581249
17-cyclopentylheptadecyl dihydrogen phosphate
CID 19374057
4-cyclopentadecylbutyl 2-(trimethylazaniumyl)ethyl phosphate
CID 172801756
3-(difluoromethoxy)propylcyclohexane
CID 25223055
4-methylpentylcyclopentane
CID 523530
2-[5-cyclohexylpentoxy(hydroxy)phosphoryl]oxyethyl-trimethylazanium
CID 67502629
2-(3-cyclopentylpropoxy)-3-ethoxy-3-oxopropanoic acid
CID 54245695
2-[butyl(pentoxy)phosphoryl]oxyethylcyclohexane
CID 91716564
3-cyclopentyl-N-methyl-N-propan-2-ylpropan-1-amine
CID 21034246
2-[butyl(dodecoxy)phosphoryl]oxyethylcyclohexane
CID 91716669
3-cyclohexylpropyl methyl sulfate
CID 139738684
4-(1-methoxyethoxy)butylcyclohexane
CID 21363364

Frequently Asked Questions

What is the IUPAC name of 3-[fluoro(propan-2-yl)phosphoryl]oxypropylcyclopentane?
The IUPAC name of 3-[fluoro(propan-2-yl)phosphoryl]oxypropylcyclopentane (CID 170850771) is 3-[fluoro(propan-2-yl)phosphoryl]oxypropylcyclopentane.
What is the SMILES notation for 3-[fluoro(propan-2-yl)phosphoryl]oxypropylcyclopentane?
The canonical SMILES for 3-[fluoro(propan-2-yl)phosphoryl]oxypropylcyclopentane is CC(C)P(=O)(F)OCCCC1CCCC1.
What is the InChIKey of 3-[fluoro(propan-2-yl)phosphoryl]oxypropylcyclopentane?
The InChIKey is LZCLGALFDVUQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FO2P/c1-10(2)15(12,13)14-9-5-8-11-6-3-4-7-11/h10-11H,3-9H2,1-2H3.
What are the key properties of 3-[fluoro(propan-2-yl)phosphoryl]oxypropylcyclopentane?
3-[fluoro(propan-2-yl)phosphoryl]oxypropylcyclopentane has a molecular weight of 236.27 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[fluoro(propan-2-yl)phosphoryl]oxypropylcyclopentane is sourced from PubChem (CID 170850771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).