(1,3-dibromo-3,3-difluoropropyl)cyclohexane

C9H14Br2F2 — CID 10519701

IUPAC(1,3-dibromo-3,3-difluoropropyl)cyclohexane
SMILESFC(F)(Br)CC(Br)C1CCCCC1
InChIInChI=1S/C9H14Br2F2/c10-8(6-9(11,12)13)7-4-2-1-3-5-7/h7-8H,1-6H2
InChIKeyGNFQEVHBSHRDTM-UHFFFAOYSA-N
MW320.02 g/mol
LogP4.71
Rot. Bonds3

About (1,3-dibromo-3,3-difluoropropyl)cyclohexane

(1,3-dibromo-3,3-difluoropropyl)cyclohexane (PubChem CID 10519701) has the molecular formula C9H14Br2F2 and a molecular weight of 320.02 g/mol. Its IUPAC name is (1,3-dibromo-3,3-difluoropropyl)cyclohexane.

Molecular Properties

Compound Name(1,3-dibromo-3,3-difluoropropyl)cyclohexane
PubChem CID10519701
Molecular FormulaC9H14Br2F2
Molecular Weight320.02 g/mol
Exact Mass317.94
IUPAC Name(1,3-dibromo-3,3-difluoropropyl)cyclohexane
SMILESFC(F)(Br)CC(Br)C1CCCCC1
InChIInChI=1S/C9H14Br2F2/c10-8(6-9(11,12)13)7-4-2-1-3-5-7/h7-8H,1-6H2
InChIKeyGNFQEVHBSHRDTM-UHFFFAOYSA-N
XLogP4.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.02
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,3-dibromopropylcyclopentane
CID 119055057
1-bromopropylcyclopentane
CID 79303747
2-bromo-1-cyclohexyl-2,2-difluoroethanol
CID 107140105
1-(2-bromo-2-cyclohexylethyl)-2-fluorobenzene
CID 63544199
di(cyclohexadecyl)methylcyclohexadecane
CID 175406938
2-(2-bromo-2-cycloheptylethyl)-1H-imidazole
CID 62588339
1-cyclopentyl-3,3,3-trifluoropropan-1-ol
CID 61392890
[(1R)-6-chloro-3,3,4,4,5,5,6,6-octafluoro-1-iodohexyl]cyclohexane
CID 125476127
1-bromoethylcyclododecane
CID 66471074
(1-cyclohexyl-2-fluoroethyl)cyclohexane
CID 162165643
4-cyclohexyl-1,1,1,2-tetrafluoropentan-2-ol
CID 59760753
2-(2-bromo-2-cyclohexylethyl)thiophene
CID 63543626

Frequently Asked Questions

What is the IUPAC name of (1,3-dibromo-3,3-difluoropropyl)cyclohexane?
The IUPAC name of (1,3-dibromo-3,3-difluoropropyl)cyclohexane (CID 10519701) is (1,3-dibromo-3,3-difluoropropyl)cyclohexane.
What is the SMILES notation for (1,3-dibromo-3,3-difluoropropyl)cyclohexane?
The canonical SMILES for (1,3-dibromo-3,3-difluoropropyl)cyclohexane is FC(F)(Br)CC(Br)C1CCCCC1.
What is the InChIKey of (1,3-dibromo-3,3-difluoropropyl)cyclohexane?
The InChIKey is GNFQEVHBSHRDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14Br2F2/c10-8(6-9(11,12)13)7-4-2-1-3-5-7/h7-8H,1-6H2.
What are the key properties of (1,3-dibromo-3,3-difluoropropyl)cyclohexane?
(1,3-dibromo-3,3-difluoropropyl)cyclohexane has a molecular weight of 320.02 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dibromo-3,3-difluoropropyl)cyclohexane is sourced from PubChem (CID 10519701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).