(E)-1-di(propan-2-yloxy)phosphoryl-1-fluoro-3-methylbut-1-ene

C11H22FO3P — CID 12843905

IUPAC(E)-1-di(propan-2-yloxy)phosphoryl-1-fluoro-3-methylbut-1-ene
SMILESCC(C)/C=C(\F)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C11H22FO3P/c1-8(2)7-11(12)16(13,14-9(3)4)15-10(5)6/h7-10H,1-6H3/b11-7+
InChIKeyALTSTNXYCXKWFU-YRNVUSSQSA-N
MW252.27 g/mol
LogP4.50
Rot. Bonds6

About (E)-1-di(propan-2-yloxy)phosphoryl-1-fluoro-3-methylbut-1-ene

(E)-1-di(propan-2-yloxy)phosphoryl-1-fluoro-3-methylbut-1-ene (PubChem CID 12843905) has the molecular formula C11H22FO3P and a molecular weight of 252.27 g/mol. Its IUPAC name is (E)-1-di(propan-2-yloxy)phosphoryl-1-fluoro-3-methylbut-1-ene.

Molecular Properties

Compound Name(E)-1-di(propan-2-yloxy)phosphoryl-1-fluoro-3-methylbut-1-ene
PubChem CID12843905
Molecular FormulaC11H22FO3P
Molecular Weight252.27 g/mol
Exact Mass252.13
IUPAC Name(E)-1-di(propan-2-yloxy)phosphoryl-1-fluoro-3-methylbut-1-ene
SMILESCC(C)/C=C(\F)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C11H22FO3P/c1-8(2)7-11(12)16(13,14-9(3)4)15-10(5)6/h7-10H,1-6H3/b11-7+
InChIKeyALTSTNXYCXKWFU-YRNVUSSQSA-N
XLogP4.50
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-di(propan-2-yloxy)phosphoryl-1-fluoro-2,3-dimethylbut-1-ene
CID 12843910
Dipropan-2-yl (1-fluorobut-3-en-1-yl)phosphonate
CID 13133774
O,O-diethyl (1-fluorobut-1-enyl)phosphonate
CID 129879750
(E)-1-diethoxyphosphoryl-3-fluoro-3-methylbut-1-ene
CID 134933674
(E)-3-methyl-1-[methyl(propan-2-yloxy)phosphoryl]but-1-ene
CID 12062970
(Z)-1-diethoxyphosphoryl-1-fluoro-3-methylbut-1-ene
CID 11172117
(E)-1-diethoxyphosphoryl-1-fluoro-3-methylbut-1-ene
CID 11276135
1-Diethoxyphosphoryl-1,1-difluoro-5-methylhexa-2,3-diene
CID 11437096
(E)-1-diethoxyphosphoryl-1-fluorobut-1-ene
CID 15370531
4-Di(propan-2-yloxy)phosphoryl-3-methylbut-1-ene
CID 71665160
1-Di(propan-2-yloxy)phosphoryl-4-methylpenta-1,2-diene
CID 13644710
2-Di(propan-2-yloxy)phosphoryl-3,3-dimethylbut-1-ene
CID 139894419

Frequently Asked Questions

What is the IUPAC name of (E)-1-di(propan-2-yloxy)phosphoryl-1-fluoro-3-methylbut-1-ene?
The IUPAC name of (E)-1-di(propan-2-yloxy)phosphoryl-1-fluoro-3-methylbut-1-ene (CID 12843905) is (E)-1-di(propan-2-yloxy)phosphoryl-1-fluoro-3-methylbut-1-ene.
What is the SMILES notation for (E)-1-di(propan-2-yloxy)phosphoryl-1-fluoro-3-methylbut-1-ene?
The canonical SMILES for (E)-1-di(propan-2-yloxy)phosphoryl-1-fluoro-3-methylbut-1-ene is CC(C)/C=C(\F)P(=O)(OC(C)C)OC(C)C.
What is the InChIKey of (E)-1-di(propan-2-yloxy)phosphoryl-1-fluoro-3-methylbut-1-ene?
The InChIKey is ALTSTNXYCXKWFU-YRNVUSSQSA-N. The full InChI is InChI=1S/C11H22FO3P/c1-8(2)7-11(12)16(13,14-9(3)4)15-10(5)6/h7-10H,1-6H3/b11-7+.
What are the key properties of (E)-1-di(propan-2-yloxy)phosphoryl-1-fluoro-3-methylbut-1-ene?
(E)-1-di(propan-2-yloxy)phosphoryl-1-fluoro-3-methylbut-1-ene has a molecular weight of 252.27 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-di(propan-2-yloxy)phosphoryl-1-fluoro-3-methylbut-1-ene is sourced from PubChem (CID 12843905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).