(3-bromo-4,4,4-trifluorobuta-1,2-dienyl)cyclohexane

C10H12BrF3 — CID 135080304

IUPAC(3-bromo-4,4,4-trifluorobuta-1,2-dienyl)cyclohexane
SMILESFC(F)(F)C(Br)=C=CC1CCCCC1
InChIInChI=1S/C10H12BrF3/c11-9(10(12,13)14)7-6-8-4-2-1-3-5-8/h6,8H,1-5H2
InChIKeyILTXRLXIPXKGHU-UHFFFAOYSA-N
MW269.10 g/mol
LogP4.56
Rot. Bonds1

About (3-bromo-4,4,4-trifluorobuta-1,2-dienyl)cyclohexane

(3-bromo-4,4,4-trifluorobuta-1,2-dienyl)cyclohexane (PubChem CID 135080304) has the molecular formula C10H12BrF3 and a molecular weight of 269.10 g/mol. Its IUPAC name is (3-bromo-4,4,4-trifluorobuta-1,2-dienyl)cyclohexane.

Molecular Properties

Compound Name(3-bromo-4,4,4-trifluorobuta-1,2-dienyl)cyclohexane
PubChem CID135080304
Molecular FormulaC10H12BrF3
Molecular Weight269.10 g/mol
Exact Mass268.01
IUPAC Name(3-bromo-4,4,4-trifluorobuta-1,2-dienyl)cyclohexane
SMILESFC(F)(F)C(Br)=C=CC1CCCCC1
InChIInChI=1S/C10H12BrF3/c11-9(10(12,13)14)7-6-8-4-2-1-3-5-8/h6,8H,1-5H2
InChIKeyILTXRLXIPXKGHU-UHFFFAOYSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (3-bromo-4,4,4-trifluorobuta-1,2-dienyl)cyclohexane?
The IUPAC name of (3-bromo-4,4,4-trifluorobuta-1,2-dienyl)cyclohexane (CID 135080304) is (3-bromo-4,4,4-trifluorobuta-1,2-dienyl)cyclohexane.
What is the SMILES notation for (3-bromo-4,4,4-trifluorobuta-1,2-dienyl)cyclohexane?
The canonical SMILES for (3-bromo-4,4,4-trifluorobuta-1,2-dienyl)cyclohexane is FC(F)(F)C(Br)=C=CC1CCCCC1.
What is the InChIKey of (3-bromo-4,4,4-trifluorobuta-1,2-dienyl)cyclohexane?
The InChIKey is ILTXRLXIPXKGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrF3/c11-9(10(12,13)14)7-6-8-4-2-1-3-5-8/h6,8H,1-5H2.
What are the key properties of (3-bromo-4,4,4-trifluorobuta-1,2-dienyl)cyclohexane?
(3-bromo-4,4,4-trifluorobuta-1,2-dienyl)cyclohexane has a molecular weight of 269.10 g/mol, XLogP of 4.56, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-4,4,4-trifluorobuta-1,2-dienyl)cyclohexane is sourced from PubChem (CID 135080304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).