3-(bromomethyl)-4-(2,2,3,3-tetrafluorohex-5-enyl)oxolane

C11H15BrF4O — CID 10336054

IUPAC3-(bromomethyl)-4-(2,2,3,3-tetrafluorohex-5-enyl)oxolane
SMILESC=CCC(F)(F)C(F)(F)CC1COCC1CBr
InChIInChI=1S/C11H15BrF4O/c1-2-3-10(13,14)11(15,16)4-8-6-17-7-9(8)5-12/h2,8-9H,1,3-7H2
InChIKeyOPPSFAWTXNJWFL-UHFFFAOYSA-N
MW319.14 g/mol
LogP3.88
Rot. Bonds6

About 3-(bromomethyl)-4-(2,2,3,3-tetrafluorohex-5-enyl)oxolane

3-(bromomethyl)-4-(2,2,3,3-tetrafluorohex-5-enyl)oxolane (PubChem CID 10336054) has the molecular formula C11H15BrF4O and a molecular weight of 319.14 g/mol. Its IUPAC name is 3-(bromomethyl)-4-(2,2,3,3-tetrafluorohex-5-enyl)oxolane.

Molecular Properties

Compound Name3-(bromomethyl)-4-(2,2,3,3-tetrafluorohex-5-enyl)oxolane
PubChem CID10336054
Molecular FormulaC11H15BrF4O
Molecular Weight319.14 g/mol
Exact Mass318.02
IUPAC Name3-(bromomethyl)-4-(2,2,3,3-tetrafluorohex-5-enyl)oxolane
SMILESC=CCC(F)(F)C(F)(F)CC1COCC1CBr
InChIInChI=1S/C11H15BrF4O/c1-2-3-10(13,14)11(15,16)4-8-6-17-7-9(8)5-12/h2,8-9H,1,3-7H2
InChIKeyOPPSFAWTXNJWFL-UHFFFAOYSA-N
XLogP3.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.14
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[2,2,3,3,4,4-hexafluoro-5-[4-(iodomethyl)oxolan-3-yl]pentyl]-4-(iodomethyl)oxolane
CID 15525132
(3R,4S)-3-(iodomethyl)-4-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)oxolane
CID 101190931
3-[2,2-difluoro-3-[4-(iodomethyl)oxolan-3-yl]propyl]-4-(iodomethyl)oxolane
CID 11733800
3-methyl-4-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptyl)oxolane
CID 101115659
(3S,4R)-4-prop-2-enyloxolan-3-amine
CID 124660513
1,1,1,2,3,3-hexafluorohex-5-en-2-ol
CID 23508681
4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-henicosafluorotridec-1-ene
CID 11249951
azane;4,4,4-trifluorobut-1-ene
CID 166791740
methane;4,4,4-trifluorobut-1-ene
CID 157244358
4,5,5,5-tetrafluoro-4-methylpent-1-ene
CID 58901177
4,4,5,5,5-pentafluoropent-1-ene;1,1,1-trifluoro-2-(trifluoromethyl)pent-4-en-2-ol
CID 88765155
cis-(1S,2S)-1-(bromomethyl)-2-ethenylcyclohexane
CID 22854362

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-4-(2,2,3,3-tetrafluorohex-5-enyl)oxolane?
The IUPAC name of 3-(bromomethyl)-4-(2,2,3,3-tetrafluorohex-5-enyl)oxolane (CID 10336054) is 3-(bromomethyl)-4-(2,2,3,3-tetrafluorohex-5-enyl)oxolane.
What is the SMILES notation for 3-(bromomethyl)-4-(2,2,3,3-tetrafluorohex-5-enyl)oxolane?
The canonical SMILES for 3-(bromomethyl)-4-(2,2,3,3-tetrafluorohex-5-enyl)oxolane is C=CCC(F)(F)C(F)(F)CC1COCC1CBr.
What is the InChIKey of 3-(bromomethyl)-4-(2,2,3,3-tetrafluorohex-5-enyl)oxolane?
The InChIKey is OPPSFAWTXNJWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrF4O/c1-2-3-10(13,14)11(15,16)4-8-6-17-7-9(8)5-12/h2,8-9H,1,3-7H2.
What are the key properties of 3-(bromomethyl)-4-(2,2,3,3-tetrafluorohex-5-enyl)oxolane?
3-(bromomethyl)-4-(2,2,3,3-tetrafluorohex-5-enyl)oxolane has a molecular weight of 319.14 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-4-(2,2,3,3-tetrafluorohex-5-enyl)oxolane is sourced from PubChem (CID 10336054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).