3-[[1-(bromomethyl)cyclopropyl]methyl]-1,1-difluorocyclohexane

C11H17BrF2 — CID 130487650

IUPAC3-[[1-(bromomethyl)cyclopropyl]methyl]-1,1-difluorocyclohexane
SMILESFC1(F)CCCC(CC2(CBr)CC2)C1
InChIInChI=1S/C11H17BrF2/c12-8-10(4-5-10)6-9-2-1-3-11(13,14)7-9/h9H,1-8H2
InChIKeyGOQCQOVDVQFGRO-UHFFFAOYSA-N
MW267.16 g/mol
LogP4.38
Rot. Bonds3

About 3-[[1-(bromomethyl)cyclopropyl]methyl]-1,1-difluorocyclohexane

3-[[1-(bromomethyl)cyclopropyl]methyl]-1,1-difluorocyclohexane (PubChem CID 130487650) has the molecular formula C11H17BrF2 and a molecular weight of 267.16 g/mol. Its IUPAC name is 3-[[1-(bromomethyl)cyclopropyl]methyl]-1,1-difluorocyclohexane.

Molecular Properties

Compound Name3-[[1-(bromomethyl)cyclopropyl]methyl]-1,1-difluorocyclohexane
PubChem CID130487650
Molecular FormulaC11H17BrF2
Molecular Weight267.16 g/mol
Exact Mass266.05
IUPAC Name3-[[1-(bromomethyl)cyclopropyl]methyl]-1,1-difluorocyclohexane
SMILESFC1(F)CCCC(CC2(CBr)CC2)C1
InChIInChI=1S/C11H17BrF2/c12-8-10(4-5-10)6-9-2-1-3-11(13,14)7-9/h9H,1-8H2
InChIKeyGOQCQOVDVQFGRO-UHFFFAOYSA-N
XLogP4.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.16
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(bromomethyl)cyclopropyl]methyl]-1,1-difluorocyclohexane?
The IUPAC name of 3-[[1-(bromomethyl)cyclopropyl]methyl]-1,1-difluorocyclohexane (CID 130487650) is 3-[[1-(bromomethyl)cyclopropyl]methyl]-1,1-difluorocyclohexane.
What is the SMILES notation for 3-[[1-(bromomethyl)cyclopropyl]methyl]-1,1-difluorocyclohexane?
The canonical SMILES for 3-[[1-(bromomethyl)cyclopropyl]methyl]-1,1-difluorocyclohexane is FC1(F)CCCC(CC2(CBr)CC2)C1.
What is the InChIKey of 3-[[1-(bromomethyl)cyclopropyl]methyl]-1,1-difluorocyclohexane?
The InChIKey is GOQCQOVDVQFGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrF2/c12-8-10(4-5-10)6-9-2-1-3-11(13,14)7-9/h9H,1-8H2.
What are the key properties of 3-[[1-(bromomethyl)cyclopropyl]methyl]-1,1-difluorocyclohexane?
3-[[1-(bromomethyl)cyclopropyl]methyl]-1,1-difluorocyclohexane has a molecular weight of 267.16 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(bromomethyl)cyclopropyl]methyl]-1,1-difluorocyclohexane is sourced from PubChem (CID 130487650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).