1-(bromomethyl)-1-(3,3,3-trifluoropropoxymethyl)cyclopropane

C8H12BrF3O — CID 82955826

IUPAC1-(bromomethyl)-1-(3,3,3-trifluoropropoxymethyl)cyclopropane
SMILESFC(F)(F)CCOCC1(CBr)CC1
InChIInChI=1S/C8H12BrF3O/c9-5-7(1-2-7)6-13-4-3-8(10,11)12/h1-6H2
InChIKeyCTDHWGTWUCBOPO-UHFFFAOYSA-N
MW261.08 g/mol
LogP3.13
Rot. Bonds5

About 1-(bromomethyl)-1-(3,3,3-trifluoropropoxymethyl)cyclopropane

1-(bromomethyl)-1-(3,3,3-trifluoropropoxymethyl)cyclopropane (PubChem CID 82955826) has the molecular formula C8H12BrF3O and a molecular weight of 261.08 g/mol. Its IUPAC name is 1-(bromomethyl)-1-(3,3,3-trifluoropropoxymethyl)cyclopropane.

Molecular Properties

Compound Name1-(bromomethyl)-1-(3,3,3-trifluoropropoxymethyl)cyclopropane
PubChem CID82955826
Molecular FormulaC8H12BrF3O
Molecular Weight261.08 g/mol
Exact Mass260.00
IUPAC Name1-(bromomethyl)-1-(3,3,3-trifluoropropoxymethyl)cyclopropane
SMILESFC(F)(F)CCOCC1(CBr)CC1
InChIInChI=1S/C8H12BrF3O/c9-5-7(1-2-7)6-13-4-3-8(10,11)12/h1-6H2
InChIKeyCTDHWGTWUCBOPO-UHFFFAOYSA-N
XLogP3.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.08
LogP ≤ 53.13
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'}

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Related Compounds

1-(bromomethyl)-1-(3,3-dimethylbutoxymethyl)cyclohexane
CID 66234060
1-(bromomethyl)-1-(3-methylbut-3-enoxymethyl)cyclopropane
CID 114470048
1-(bromomethyl)-1-(heptoxymethyl)cyclopropane
CID 65008372
[1-(3,3,3-trifluoropropoxymethyl)cyclohexyl]methanesulfonyl chloride
CID 82959382
1-(bromomethyl)-1-(2-cyclopropylethoxymethyl)cyclohexane
CID 106201182
1-(bromomethyl)-1-(2-methoxyethoxymethyl)cyclobutane
CID 65007473
1-(bromomethyl)-1-(2-methoxyethoxymethyl)cyclopentane
CID 65001082
1-(bromomethyl)-1-(2-ethoxyethoxymethyl)cyclohexane
CID 65001789
1-(bromomethyl)-1-(3-methylbut-3-enoxymethyl)cyclopentane
CID 114470059
1-(bromomethyl)-1-(but-2-enoxymethyl)cyclopropane
CID 77052712
1-(bromomethyl)-1-[2-(2-methylpropoxy)ethoxymethyl]cyclohexane
CID 106447437
4-(bromomethyl)-4-(3-methylbutoxymethyl)oxane
CID 65004529

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-1-(3,3,3-trifluoropropoxymethyl)cyclopropane?
The IUPAC name of 1-(bromomethyl)-1-(3,3,3-trifluoropropoxymethyl)cyclopropane (CID 82955826) is 1-(bromomethyl)-1-(3,3,3-trifluoropropoxymethyl)cyclopropane.
What is the SMILES notation for 1-(bromomethyl)-1-(3,3,3-trifluoropropoxymethyl)cyclopropane?
The canonical SMILES for 1-(bromomethyl)-1-(3,3,3-trifluoropropoxymethyl)cyclopropane is FC(F)(F)CCOCC1(CBr)CC1.
What is the InChIKey of 1-(bromomethyl)-1-(3,3,3-trifluoropropoxymethyl)cyclopropane?
The InChIKey is CTDHWGTWUCBOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrF3O/c9-5-7(1-2-7)6-13-4-3-8(10,11)12/h1-6H2.
What are the key properties of 1-(bromomethyl)-1-(3,3,3-trifluoropropoxymethyl)cyclopropane?
1-(bromomethyl)-1-(3,3,3-trifluoropropoxymethyl)cyclopropane has a molecular weight of 261.08 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-1-(3,3,3-trifluoropropoxymethyl)cyclopropane is sourced from PubChem (CID 82955826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).