(1,1-dibromo-3,3,3-trifluoroprop-1-en-2-yl)cyclohexane

C9H11Br2F3 — CID 15396971

IUPAC(1,1-dibromo-3,3,3-trifluoroprop-1-en-2-yl)cyclohexane
SMILESFC(F)(F)C(=C(Br)Br)C1CCCCC1
InChIInChI=1S/C9H11Br2F3/c10-8(11)7(9(12,13)14)6-4-2-1-3-5-6/h6H,1-5H2
InChIKeyKCWCNDXWPXNDTC-UHFFFAOYSA-N
MW335.99 g/mol
LogP5.13
Rot. Bonds1

About (1,1-dibromo-3,3,3-trifluoroprop-1-en-2-yl)cyclohexane

(1,1-dibromo-3,3,3-trifluoroprop-1-en-2-yl)cyclohexane (PubChem CID 15396971) has the molecular formula C9H11Br2F3 and a molecular weight of 335.99 g/mol. Its IUPAC name is (1,1-dibromo-3,3,3-trifluoroprop-1-en-2-yl)cyclohexane.

Molecular Properties

Compound Name(1,1-dibromo-3,3,3-trifluoroprop-1-en-2-yl)cyclohexane
PubChem CID15396971
Molecular FormulaC9H11Br2F3
Molecular Weight335.99 g/mol
Exact Mass333.92
IUPAC Name(1,1-dibromo-3,3,3-trifluoroprop-1-en-2-yl)cyclohexane
SMILESFC(F)(F)C(=C(Br)Br)C1CCCCC1
InChIInChI=1S/C9H11Br2F3/c10-8(11)7(9(12,13)14)6-4-2-1-3-5-6/h6H,1-5H2
InChIKeyKCWCNDXWPXNDTC-UHFFFAOYSA-N
XLogP5.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.99
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (1,1-dibromo-3,3,3-trifluoroprop-1-en-2-yl)cyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3,3-Trifluoroprop-2-enylcyclohexane
CID 58491224
(1,1,3,3,3-Pentafluoroprop-1-en-2-yl)cyclohexane
CID 58999458
[3,3-Difluoro-2-(trifluoromethyl)prop-2-enyl]cyclohexane
CID 58999462
4-(2,2-Dibromoethenyl)-1,1-difluorocyclohexane
CID 129270309
1-Fluoro-3-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)cyclohexane
CID 140460926
1-[Bromo(fluoro)methylidene]-4-methylcyclohexane
CID 13707270
1-(Bromomethyl)-4-(difluoromethylidene)cyclohexane
CID 137943576
1-(Difluoromethylidene)-4-ethylcyclohexane
CID 162557862
1-[Bromo(fluoro)methylidene]-4-ethylcyclohexane
CID 165463466
4-(3-Bromoprop-1-en-2-yl)-1,1-difluorocyclohexane
CID 165789631

Frequently Asked Questions

What is the IUPAC name of (1,1-dibromo-3,3,3-trifluoroprop-1-en-2-yl)cyclohexane?
The IUPAC name of (1,1-dibromo-3,3,3-trifluoroprop-1-en-2-yl)cyclohexane (CID 15396971) is (1,1-dibromo-3,3,3-trifluoroprop-1-en-2-yl)cyclohexane.
What is the SMILES notation for (1,1-dibromo-3,3,3-trifluoroprop-1-en-2-yl)cyclohexane?
The canonical SMILES for (1,1-dibromo-3,3,3-trifluoroprop-1-en-2-yl)cyclohexane is FC(F)(F)C(=C(Br)Br)C1CCCCC1.
What is the InChIKey of (1,1-dibromo-3,3,3-trifluoroprop-1-en-2-yl)cyclohexane?
The InChIKey is KCWCNDXWPXNDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Br2F3/c10-8(11)7(9(12,13)14)6-4-2-1-3-5-6/h6H,1-5H2.
What are the key properties of (1,1-dibromo-3,3,3-trifluoroprop-1-en-2-yl)cyclohexane?
(1,1-dibromo-3,3,3-trifluoroprop-1-en-2-yl)cyclohexane has a molecular weight of 335.99 g/mol, XLogP of 5.13, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dibromo-3,3,3-trifluoroprop-1-en-2-yl)cyclohexane is sourced from PubChem (CID 15396971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).