1-(bromomethyl)-1-(4,4,4-trifluorobutoxymethyl)cyclopentane

C11H18BrF3O — CID 82787746

IUPAC1-(bromomethyl)-1-(4,4,4-trifluorobutoxymethyl)cyclopentane
SMILESFC(F)(F)CCCOCC1(CBr)CCCC1
InChIInChI=1S/C11H18BrF3O/c12-8-10(4-1-2-5-10)9-16-7-3-6-11(13,14)15/h1-9H2
InChIKeyYSWVPNLJZDZUPC-UHFFFAOYSA-N
MW303.16 g/mol
LogP4.30
Rot. Bonds6

About 1-(bromomethyl)-1-(4,4,4-trifluorobutoxymethyl)cyclopentane

1-(bromomethyl)-1-(4,4,4-trifluorobutoxymethyl)cyclopentane (PubChem CID 82787746) has the molecular formula C11H18BrF3O and a molecular weight of 303.16 g/mol. Its IUPAC name is 1-(bromomethyl)-1-(4,4,4-trifluorobutoxymethyl)cyclopentane.

Molecular Properties

Compound Name1-(bromomethyl)-1-(4,4,4-trifluorobutoxymethyl)cyclopentane
PubChem CID82787746
Molecular FormulaC11H18BrF3O
Molecular Weight303.16 g/mol
Exact Mass302.05
IUPAC Name1-(bromomethyl)-1-(4,4,4-trifluorobutoxymethyl)cyclopentane
SMILESFC(F)(F)CCCOCC1(CBr)CCCC1
InChIInChI=1S/C11H18BrF3O/c12-8-10(4-1-2-5-10)9-16-7-3-6-11(13,14)15/h1-9H2
InChIKeyYSWVPNLJZDZUPC-UHFFFAOYSA-N
XLogP4.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 54.30
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)-3,3-difluoro-1-(methoxymethyl)cyclopentane
CID 177798607
4-Bromo-5,5-dimethyl-1-(2,2,2-trifluoroethoxy)hexane
CID 61733925
1-(Bromomethyl)-1-(2,2,2-trifluoroethoxy)cyclopentane
CID 62107272
6-Bromo-4,4-dimethyl-1-(2,2,2-trifluoroethoxy)heptane
CID 64717066
1-(Bromomethyl)-1-(2,2,2-trifluoroethoxymethyl)cyclopentane
CID 65001753
4-(Bromomethyl)-4-(2,2,2-trifluoroethoxymethyl)heptane
CID 65005937
3-(Bromomethyl)-3-[2-(2,2,2-trifluoroethoxy)ethyl]oxane
CID 66040662
4-(Bromomethyl)-1-(2,2,2-trifluoroethoxy)hexane
CID 66043050
4-(Bromomethyl)-4-ethyl-1-(2,2,2-trifluoroethoxy)hexane
CID 66047621
1-(Bromomethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane
CID 66047811
1-(Bromomethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutane
CID 66048001
3-(Bromomethyl)-3-ethyl-1-(2,2,2-trifluoroethoxy)heptane
CID 66048048

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-1-(4,4,4-trifluorobutoxymethyl)cyclopentane?
The IUPAC name of 1-(bromomethyl)-1-(4,4,4-trifluorobutoxymethyl)cyclopentane (CID 82787746) is 1-(bromomethyl)-1-(4,4,4-trifluorobutoxymethyl)cyclopentane.
What is the SMILES notation for 1-(bromomethyl)-1-(4,4,4-trifluorobutoxymethyl)cyclopentane?
The canonical SMILES for 1-(bromomethyl)-1-(4,4,4-trifluorobutoxymethyl)cyclopentane is FC(F)(F)CCCOCC1(CBr)CCCC1.
What is the InChIKey of 1-(bromomethyl)-1-(4,4,4-trifluorobutoxymethyl)cyclopentane?
The InChIKey is YSWVPNLJZDZUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrF3O/c12-8-10(4-1-2-5-10)9-16-7-3-6-11(13,14)15/h1-9H2.
What are the key properties of 1-(bromomethyl)-1-(4,4,4-trifluorobutoxymethyl)cyclopentane?
1-(bromomethyl)-1-(4,4,4-trifluorobutoxymethyl)cyclopentane has a molecular weight of 303.16 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-1-(4,4,4-trifluorobutoxymethyl)cyclopentane is sourced from PubChem (CID 82787746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).