2-(1-fluoro-5-methyl-3-propan-2-ylhex-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C16H30BFO2 — CID 171110015

IUPAC2-(1-fluoro-5-methyl-3-propan-2-ylhex-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC(C)CC(C=C(F)B1OC(C)(C)C(C)(C)O1)C(C)C
InChIInChI=1S/C16H30BFO2/c1-11(2)9-13(12(3)4)10-14(18)17-19-15(5,6)16(7,8)20-17/h10-13H,9H2,1-8H3
InChIKeyQQKGSVHHCRAULX-UHFFFAOYSA-N
MW284.22 g/mol
LogP4.79
Rot. Bonds5

About 2-(1-fluoro-5-methyl-3-propan-2-ylhex-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(1-fluoro-5-methyl-3-propan-2-ylhex-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 171110015) has the molecular formula C16H30BFO2 and a molecular weight of 284.22 g/mol. Its IUPAC name is 2-(1-fluoro-5-methyl-3-propan-2-ylhex-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(1-fluoro-5-methyl-3-propan-2-ylhex-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID171110015
Molecular FormulaC16H30BFO2
Molecular Weight284.22 g/mol
Exact Mass284.23
IUPAC Name2-(1-fluoro-5-methyl-3-propan-2-ylhex-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC(C)CC(C=C(F)B1OC(C)(C)C(C)(C)O1)C(C)C
InChIInChI=1S/C16H30BFO2/c1-11(2)9-13(12(3)4)10-14(18)17-19-15(5,6)16(7,8)20-17/h10-13H,9H2,1-8H3
InChIKeyQQKGSVHHCRAULX-UHFFFAOYSA-N
XLogP4.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.22
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(1R)-1-cyclohexyl-3,3-difluoroprop-2-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 177469361
2-[4-(Fluoromethyl)cyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 123316535
2-(4-Fluoro-4-prop-2-enylcyclohexen-1-yl)-4,4,5-trimethyl-5-propan-2-yl-1,3,2-dioxaborolane
CID 145231243
2-[(E)-2-(4-fluoro-4-methylcyclohexyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 153542019
2-[(Z)-1-fluoropent-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 164530123
2-[(4R)-4-(fluoromethyl)cyclohexen-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 173604197
2-[3-Fluoro-5-methyl-6-(2-methylpropyl)cyclohexa-1,3-dien-1-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 175746466
4,4,5,5-tetraethyl-2-[(3S)-hex-1-en-3-yl]-1,3,2-dioxaborolane
CID 178251121
2-(4-Fluoro-4-propan-2-ylcyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 133668981
2-[2-(3,3-Difluorocyclopentyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 165471394
4,4,5,5-Tetramethyl-2-(1,6,6,6-tetrafluoro-3-methylhex-1-enyl)-1,3,2-dioxaborolane
CID 171109941
2-(3-Ethyl-1,6,6,6-tetrafluorohex-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 171109942

Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoro-5-methyl-3-propan-2-ylhex-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(1-fluoro-5-methyl-3-propan-2-ylhex-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 171110015) is 2-(1-fluoro-5-methyl-3-propan-2-ylhex-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(1-fluoro-5-methyl-3-propan-2-ylhex-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(1-fluoro-5-methyl-3-propan-2-ylhex-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC(C)CC(C=C(F)B1OC(C)(C)C(C)(C)O1)C(C)C.
What is the InChIKey of 2-(1-fluoro-5-methyl-3-propan-2-ylhex-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is QQKGSVHHCRAULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30BFO2/c1-11(2)9-13(12(3)4)10-14(18)17-19-15(5,6)16(7,8)20-17/h10-13H,9H2,1-8H3.
What are the key properties of 2-(1-fluoro-5-methyl-3-propan-2-ylhex-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(1-fluoro-5-methyl-3-propan-2-ylhex-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 284.22 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoro-5-methyl-3-propan-2-ylhex-1-enyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 171110015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).