hydroxy-oxo-(5,5,5-trifluoro-3-methylpent-1-en-2-yl)phosphanium

C6H9F3O2P+ — CID 87155593

IUPAChydroxy-oxo-(5,5,5-trifluoro-3-methylpent-1-en-2-yl)phosphanium
SMILESC=C(C(C)CC(F)(F)F)[P+](=O)O
InChIInChI=1S/C6H8F3O2P/c1-4(3-6(7,8)9)5(2)12(10)11/h4H,2-3H2,1H3/p+1
InChIKeySCIMYZPVUDCIGY-UHFFFAOYSA-O
MW201.10 g/mol
LogP2.82
Rot. Bonds3

About hydroxy-oxo-(5,5,5-trifluoro-3-methylpent-1-en-2-yl)phosphanium

hydroxy-oxo-(5,5,5-trifluoro-3-methylpent-1-en-2-yl)phosphanium (PubChem CID 87155593) has the molecular formula C6H9F3O2P+ and a molecular weight of 201.10 g/mol. Its IUPAC name is hydroxy-oxo-(5,5,5-trifluoro-3-methylpent-1-en-2-yl)phosphanium.

Molecular Properties

Compound Namehydroxy-oxo-(5,5,5-trifluoro-3-methylpent-1-en-2-yl)phosphanium
PubChem CID87155593
Molecular FormulaC6H9F3O2P+
Molecular Weight201.10 g/mol
Exact Mass201.03
IUPAC Namehydroxy-oxo-(5,5,5-trifluoro-3-methylpent-1-en-2-yl)phosphanium
SMILESC=C(C(C)CC(F)(F)F)[P+](=O)O
InChIInChI=1S/C6H8F3O2P/c1-4(3-6(7,8)9)5(2)12(10)11/h4H,2-3H2,1H3/p+1
InChIKeySCIMYZPVUDCIGY-UHFFFAOYSA-O
XLogP2.82
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.10
LogP ≤ 52.82
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

1,1,1,3-tetrafluoro-3-methoxypropane
CID 141176664
(2R)-4,4,4-trifluoro-2-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 10967206
ethenyl(4,4,4-trifluorobutan-2-yl)phosphinic acid
CID 87155591
2,4,4,4-tetrafluorobutanoic acid
CID 24794893
(3S)-1,1,1-trifluoro-3-iodobutane
CID 95036326
1,1,1,7,7,7-hexafluoro-3,5-dimethylheptane
CID 155426955
(4,4,4-trifluoro-1-hydroxy-1-methoxybutan-2-yl) 2-methylprop-2-enoate
CID 139912990
(2R)-4-methyl-2-(2,2,2-trifluoroethyl)pentanoic acid
CID 129371887
oxo-prop-1-en-2-yl-(2,2,2-trifluoroethoxy)phosphanium
CID 87624153
N-methyl-N-(3,3,3-trifluoro-1-hydroxypropyl)acetamide
CID 25029674
5,5,5-trifluoro-3-(2-hydroxyethyl)pentan-2-one
CID 103343915
1,1,1-trifluoro-3-(4,4,4-trifluorobutan-2-ylsulfanyl)butane
CID 87155190

Frequently Asked Questions

What is the IUPAC name of hydroxy-oxo-(5,5,5-trifluoro-3-methylpent-1-en-2-yl)phosphanium?
The IUPAC name of hydroxy-oxo-(5,5,5-trifluoro-3-methylpent-1-en-2-yl)phosphanium (CID 87155593) is hydroxy-oxo-(5,5,5-trifluoro-3-methylpent-1-en-2-yl)phosphanium.
What is the SMILES notation for hydroxy-oxo-(5,5,5-trifluoro-3-methylpent-1-en-2-yl)phosphanium?
The canonical SMILES for hydroxy-oxo-(5,5,5-trifluoro-3-methylpent-1-en-2-yl)phosphanium is C=C(C(C)CC(F)(F)F)[P+](=O)O.
What is the InChIKey of hydroxy-oxo-(5,5,5-trifluoro-3-methylpent-1-en-2-yl)phosphanium?
The InChIKey is SCIMYZPVUDCIGY-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H8F3O2P/c1-4(3-6(7,8)9)5(2)12(10)11/h4H,2-3H2,1H3/p+1.
What are the key properties of hydroxy-oxo-(5,5,5-trifluoro-3-methylpent-1-en-2-yl)phosphanium?
hydroxy-oxo-(5,5,5-trifluoro-3-methylpent-1-en-2-yl)phosphanium has a molecular weight of 201.10 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-oxo-(5,5,5-trifluoro-3-methylpent-1-en-2-yl)phosphanium is sourced from PubChem (CID 87155593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).