1-[3-chloropropoxy(difluoro)methyl]-1-(trifluoromethyl)cyclohexane

C11H16ClF5O — CID 11323877

IUPAC1-[3-chloropropoxy(difluoro)methyl]-1-(trifluoromethyl)cyclohexane
SMILESFC(F)(F)C1(C(F)(F)OCCCCl)CCCCC1
InChIInChI=1S/C11H16ClF5O/c12-7-4-8-18-11(16,17)9(10(13,14)15)5-2-1-3-6-9/h1-8H2
InChIKeyFKKXNUANFMIKCY-UHFFFAOYSA-N
MW294.69 g/mol
LogP4.74
Rot. Bonds5

About 1-[3-chloropropoxy(difluoro)methyl]-1-(trifluoromethyl)cyclohexane

1-[3-chloropropoxy(difluoro)methyl]-1-(trifluoromethyl)cyclohexane (PubChem CID 11323877) has the molecular formula C11H16ClF5O and a molecular weight of 294.69 g/mol. Its IUPAC name is 1-[3-chloropropoxy(difluoro)methyl]-1-(trifluoromethyl)cyclohexane.

Molecular Properties

Compound Name1-[3-chloropropoxy(difluoro)methyl]-1-(trifluoromethyl)cyclohexane
PubChem CID11323877
Molecular FormulaC11H16ClF5O
Molecular Weight294.69 g/mol
Exact Mass294.08
IUPAC Name1-[3-chloropropoxy(difluoro)methyl]-1-(trifluoromethyl)cyclohexane
SMILESFC(F)(F)C1(C(F)(F)OCCCCl)CCCCC1
InChIInChI=1S/C11H16ClF5O/c12-7-4-8-18-11(16,17)9(10(13,14)15)5-2-1-3-6-9/h1-8H2
InChIKeyFKKXNUANFMIKCY-UHFFFAOYSA-N
XLogP4.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.69
LogP ≤ 54.74
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'}

Analyze 1-[3-chloropropoxy(difluoro)methyl]-1-(trifluoromethyl)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

5-Chloro-6,6-dimethyl-1-(2,2,2-trifluoroethoxy)heptane
CID 61732261
6-Chloro-7,7-dimethyl-1-(2,2,2-trifluoroethoxy)octane
CID 64508910
6-Chloro-4,4-dimethyl-1-(2,2,2-trifluoroethoxy)heptane
CID 64716847
4-Butyl-1-(chloromethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexane
CID 66033288
4-Tert-butyl-1-(chloromethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexane
CID 66033577
3-(Chloromethyl)-3-ethyl-1-(2,2,2-trifluoroethoxy)heptane
CID 66034253
4-Butyl-1-(chloromethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexane
CID 66034406
1-(Chloromethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexane
CID 66034445
4-(Chloromethyl)-4-methyl-1-(2,2,2-trifluoroethoxy)heptane
CID 66034462
1-(Chloromethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutane
CID 66035097
1-(Chloromethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane
CID 66035800
1-(Chloromethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexane
CID 66036021

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloropropoxy(difluoro)methyl]-1-(trifluoromethyl)cyclohexane?
The IUPAC name of 1-[3-chloropropoxy(difluoro)methyl]-1-(trifluoromethyl)cyclohexane (CID 11323877) is 1-[3-chloropropoxy(difluoro)methyl]-1-(trifluoromethyl)cyclohexane.
What is the SMILES notation for 1-[3-chloropropoxy(difluoro)methyl]-1-(trifluoromethyl)cyclohexane?
The canonical SMILES for 1-[3-chloropropoxy(difluoro)methyl]-1-(trifluoromethyl)cyclohexane is FC(F)(F)C1(C(F)(F)OCCCCl)CCCCC1.
What is the InChIKey of 1-[3-chloropropoxy(difluoro)methyl]-1-(trifluoromethyl)cyclohexane?
The InChIKey is FKKXNUANFMIKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClF5O/c12-7-4-8-18-11(16,17)9(10(13,14)15)5-2-1-3-6-9/h1-8H2.
What are the key properties of 1-[3-chloropropoxy(difluoro)methyl]-1-(trifluoromethyl)cyclohexane?
1-[3-chloropropoxy(difluoro)methyl]-1-(trifluoromethyl)cyclohexane has a molecular weight of 294.69 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloropropoxy(difluoro)methyl]-1-(trifluoromethyl)cyclohexane is sourced from PubChem (CID 11323877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).