1-bromo-2-butoxy-1-fluorocyclopropane

C7H12BrFO — CID 23262352

IUPAC1-bromo-2-butoxy-1-fluorocyclopropane
SMILESCCCCOC1CC1(F)Br
InChIInChI=1S/C7H12BrFO/c1-2-3-4-10-6-5-7(6,8)9/h6H,2-5H2,1H3
InChIKeyZZMLEDWWKKMRQY-UHFFFAOYSA-N
MW211.07 g/mol
LogP2.64
Rot. Bonds4

About 1-bromo-2-butoxy-1-fluorocyclopropane

1-bromo-2-butoxy-1-fluorocyclopropane (PubChem CID 23262352) has the molecular formula C7H12BrFO and a molecular weight of 211.07 g/mol. Its IUPAC name is 1-bromo-2-butoxy-1-fluorocyclopropane.

Molecular Properties

Compound Name1-bromo-2-butoxy-1-fluorocyclopropane
PubChem CID23262352
Molecular FormulaC7H12BrFO
Molecular Weight211.07 g/mol
Exact Mass210.01
IUPAC Name1-bromo-2-butoxy-1-fluorocyclopropane
SMILESCCCCOC1CC1(F)Br
InChIInChI=1S/C7H12BrFO/c1-2-3-4-10-6-5-7(6,8)9/h6H,2-5H2,1H3
InChIKeyZZMLEDWWKKMRQY-UHFFFAOYSA-N
XLogP2.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.07
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-bromo-2-butoxy-1-fluorocyclopropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Bromo-1-ethoxycyclopropane
CID 13380321
1-Bromo-2-ethoxycyclopropane
CID 12937420
1,1-Dibromo-2-butoxycyclopropane
CID 13658044
1-Bromo-1-fluoro-1-propan-2-yloxybutane
CID 22003101
1,1-Dibromo-2-ethoxycyclopropane
CID 12473778
1-Bromo-2-ethoxycyclopropyllithium
CID 15711178
1-Bromo-1-fluoro-1-propan-2-yloxypropane
CID 20218327
1-Bromo-2-ethoxy-1-fluorocyclopropane
CID 23262285
(2-Bromo-3-fluoropropoxy)cyclopropane
CID 165961807
cis-(1S,2R)-1-bromo-2-butoxycyclopropane
CID 90226057
trans-(1S,2S)-1-bromo-2-butoxycyclopropane
CID 118524659
rac-(1R,2R)-1-bromo-2-ethoxycyclopropane
CID 12937421

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-butoxy-1-fluorocyclopropane?
The IUPAC name of 1-bromo-2-butoxy-1-fluorocyclopropane (CID 23262352) is 1-bromo-2-butoxy-1-fluorocyclopropane.
What is the SMILES notation for 1-bromo-2-butoxy-1-fluorocyclopropane?
The canonical SMILES for 1-bromo-2-butoxy-1-fluorocyclopropane is CCCCOC1CC1(F)Br.
What is the InChIKey of 1-bromo-2-butoxy-1-fluorocyclopropane?
The InChIKey is ZZMLEDWWKKMRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12BrFO/c1-2-3-4-10-6-5-7(6,8)9/h6H,2-5H2,1H3.
What are the key properties of 1-bromo-2-butoxy-1-fluorocyclopropane?
1-bromo-2-butoxy-1-fluorocyclopropane has a molecular weight of 211.07 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-butoxy-1-fluorocyclopropane is sourced from PubChem (CID 23262352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).