3-(3-bromopropoxy)-3-fluoropropan-1-ol

C6H12BrFO2 — CID 56992105

IUPAC3-(3-bromopropoxy)-3-fluoropropan-1-ol
SMILESOCCC(F)OCCCBr
InChIInChI=1S/C6H12BrFO2/c7-3-1-5-10-6(8)2-4-9/h6,9H,1-5H2
InChIKeyPRDLQHSTDJCAER-UHFFFAOYSA-N
MW215.06 g/mol
LogP1.47
Rot. Bonds6

About 3-(3-bromopropoxy)-3-fluoropropan-1-ol

3-(3-bromopropoxy)-3-fluoropropan-1-ol (PubChem CID 56992105) has the molecular formula C6H12BrFO2 and a molecular weight of 215.06 g/mol. Its IUPAC name is 3-(3-bromopropoxy)-3-fluoropropan-1-ol.

Molecular Properties

Compound Name3-(3-bromopropoxy)-3-fluoropropan-1-ol
PubChem CID56992105
Molecular FormulaC6H12BrFO2
Molecular Weight215.06 g/mol
Exact Mass214.00
IUPAC Name3-(3-bromopropoxy)-3-fluoropropan-1-ol
SMILESOCCC(F)OCCCBr
InChIInChI=1S/C6H12BrFO2/c7-3-1-5-10-6(8)2-4-9/h6,9H,1-5H2
InChIKeyPRDLQHSTDJCAER-UHFFFAOYSA-N
XLogP1.47
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.06
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Bromo-3-(3,3,3-trifluoropropoxy)propan-1-ol
CID 90800512
3-Bromo-3-(2-fluoropropoxy)propan-1-ol
CID 175028632
2-(Bromomethyl)-2-(fluoromethyl)propane-1,3-diol
CID 71392834
3-(1-Bromoethoxy)propan-1-ol
CID 54108819
1-Bromo-3-methoxypropanol
CID 55274299
3-(4-Bromobutoxy)-propan-1-ol
CID 85788740
3-(3-Bromopropoxy)propan-1-ol
CID 87397026
2-Bromo-3-(3-bromopropoxy)propan-1-ol
CID 123226007
1-Bromo-3-propoxypropan-1-ol
CID 173449819
1-Bromo-3-(3-bromopropoxy)propan-1-ol
CID 174588165
(1S)-1-bromo-3-methoxypropan-1-ol
CID 93999315
(1R)-1-bromo-3-methoxypropan-1-ol
CID 93999316

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromopropoxy)-3-fluoropropan-1-ol?
The IUPAC name of 3-(3-bromopropoxy)-3-fluoropropan-1-ol (CID 56992105) is 3-(3-bromopropoxy)-3-fluoropropan-1-ol.
What is the SMILES notation for 3-(3-bromopropoxy)-3-fluoropropan-1-ol?
The canonical SMILES for 3-(3-bromopropoxy)-3-fluoropropan-1-ol is OCCC(F)OCCCBr.
What is the InChIKey of 3-(3-bromopropoxy)-3-fluoropropan-1-ol?
The InChIKey is PRDLQHSTDJCAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12BrFO2/c7-3-1-5-10-6(8)2-4-9/h6,9H,1-5H2.
What are the key properties of 3-(3-bromopropoxy)-3-fluoropropan-1-ol?
3-(3-bromopropoxy)-3-fluoropropan-1-ol has a molecular weight of 215.06 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromopropoxy)-3-fluoropropan-1-ol is sourced from PubChem (CID 56992105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).