[3-[fluoro-bis(phosphanyl)methyl]phenyl]methanol

C8H11FOP2 — CID 163883327

IUPAC[3-[fluoro-bis(phosphanyl)methyl]phenyl]methanol
SMILESOCc1cccc(C(F)(P)P)c1
InChIInChI=1S/C8H11FOP2/c9-8(11,12)7-3-1-2-6(4-7)5-10/h1-4,10H,5,11-12H2
InChIKeyPVEJIRLJIIJOPK-UHFFFAOYSA-N
MW204.12 g/mol
LogP2.01
Rot. Bonds2

About [3-[fluoro-bis(phosphanyl)methyl]phenyl]methanol

[3-[fluoro-bis(phosphanyl)methyl]phenyl]methanol (PubChem CID 163883327) has the molecular formula C8H11FOP2 and a molecular weight of 204.12 g/mol. Its IUPAC name is [3-[fluoro-bis(phosphanyl)methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[fluoro-bis(phosphanyl)methyl]phenyl]methanol
PubChem CID163883327
Molecular FormulaC8H11FOP2
Molecular Weight204.12 g/mol
Exact Mass204.03
IUPAC Name[3-[fluoro-bis(phosphanyl)methyl]phenyl]methanol
SMILESOCc1cccc(C(F)(P)P)c1
InChIInChI=1S/C8H11FOP2/c9-8(11,12)7-3-1-2-6(4-7)5-10/h1-4,10H,5,11-12H2
InChIKeyPVEJIRLJIIJOPK-UHFFFAOYSA-N
XLogP2.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.12
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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2-[3-(hydroxymethyl)phenyl]acetohydrazide
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Frequently Asked Questions

What is the IUPAC name of [3-[fluoro-bis(phosphanyl)methyl]phenyl]methanol?
The IUPAC name of [3-[fluoro-bis(phosphanyl)methyl]phenyl]methanol (CID 163883327) is [3-[fluoro-bis(phosphanyl)methyl]phenyl]methanol.
What is the SMILES notation for [3-[fluoro-bis(phosphanyl)methyl]phenyl]methanol?
The canonical SMILES for [3-[fluoro-bis(phosphanyl)methyl]phenyl]methanol is OCc1cccc(C(F)(P)P)c1.
What is the InChIKey of [3-[fluoro-bis(phosphanyl)methyl]phenyl]methanol?
The InChIKey is PVEJIRLJIIJOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FOP2/c9-8(11,12)7-3-1-2-6(4-7)5-10/h1-4,10H,5,11-12H2.
What are the key properties of [3-[fluoro-bis(phosphanyl)methyl]phenyl]methanol?
[3-[fluoro-bis(phosphanyl)methyl]phenyl]methanol has a molecular weight of 204.12 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[fluoro-bis(phosphanyl)methyl]phenyl]methanol is sourced from PubChem (CID 163883327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).