fluoro-methyl-[(E)-5-methylhex-2-enyl]borane

C8H16BF — CID 174062619

IUPACfluoro-methyl-[(E)-5-methylhex-2-enyl]borane
SMILESCB(F)C/C=C/CC(C)C
InChIInChI=1S/C8H16BF/c1-8(2)6-4-5-7-9(3)10/h4-5,8H,6-7H2,1-3H3/b5-4+
InChIKeyZGHFUJNZXQIELX-SNAWJCMRSA-N
MW142.03 g/mol
LogP3.18
Rot. Bonds4

About fluoro-methyl-[(E)-5-methylhex-2-enyl]borane

fluoro-methyl-[(E)-5-methylhex-2-enyl]borane (PubChem CID 174062619) has the molecular formula C8H16BF and a molecular weight of 142.03 g/mol. Its IUPAC name is fluoro-methyl-[(E)-5-methylhex-2-enyl]borane.

Molecular Properties

Compound Namefluoro-methyl-[(E)-5-methylhex-2-enyl]borane
PubChem CID174062619
Molecular FormulaC8H16BF
Molecular Weight142.03 g/mol
Exact Mass142.13
IUPAC Namefluoro-methyl-[(E)-5-methylhex-2-enyl]borane
SMILESCB(F)C/C=C/CC(C)C
InChIInChI=1S/C8H16BF/c1-8(2)6-4-5-7-9(3)10/h4-5,8H,6-7H2,1-3H3/b5-4+
InChIKeyZGHFUJNZXQIELX-SNAWJCMRSA-N
XLogP3.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.03
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

8-methylnona-1,5-diene
CID 54303226
5-methylhex-2-en-1-ol
CID 12538351
5-methylhex-2-en-1-amine;hydrochloride
CID 173399515
2,8-dimethylnon-4-ene
CID 54058844
1-bromo-6-methylhept-3-ene
CID 79006953
(Z)-1,1,1-trifluoro-5-methylhex-2-ene
CID 176664146
10-methylundeca-3,7-diene
CID 91333064
6-methylhept-3-enal
CID 91484741
ethane;(E)-5-methylhex-2-ene
CID 143114143
(E)-2,6-dimethylhept-3-ene
CID 5364654
(E)-4-methylpent-1-en-1-ol
CID 22598252
3,9-dimethyldeca-1,6-diene
CID 173018442

Frequently Asked Questions

What is the IUPAC name of fluoro-methyl-[(E)-5-methylhex-2-enyl]borane?
The IUPAC name of fluoro-methyl-[(E)-5-methylhex-2-enyl]borane (CID 174062619) is fluoro-methyl-[(E)-5-methylhex-2-enyl]borane.
What is the SMILES notation for fluoro-methyl-[(E)-5-methylhex-2-enyl]borane?
The canonical SMILES for fluoro-methyl-[(E)-5-methylhex-2-enyl]borane is CB(F)C/C=C/CC(C)C.
What is the InChIKey of fluoro-methyl-[(E)-5-methylhex-2-enyl]borane?
The InChIKey is ZGHFUJNZXQIELX-SNAWJCMRSA-N. The full InChI is InChI=1S/C8H16BF/c1-8(2)6-4-5-7-9(3)10/h4-5,8H,6-7H2,1-3H3/b5-4+.
What are the key properties of fluoro-methyl-[(E)-5-methylhex-2-enyl]borane?
fluoro-methyl-[(E)-5-methylhex-2-enyl]borane has a molecular weight of 142.03 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro-methyl-[(E)-5-methylhex-2-enyl]borane is sourced from PubChem (CID 174062619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).