4-(fluoromethyl)cyclohexan-1-one;methane;propyl hypofluorite

C12H26F2O2 — CID 161415596

IUPAC4-(fluoromethyl)cyclohexan-1-one;methane;propyl hypofluorite
SMILESC.C.CCCOF.O=C1CCC(CF)CC1
InChIInChI=1S/C7H11FO.C3H7FO.2CH4/c8-5-6-1-3-7(9)4-2-6;1-2-3-5-4;;/h6H,1-5H2;2-3H2,1H3;2*1H4
InChIKeyVWASOCIPTMOAPU-UHFFFAOYSA-N
MW240.33 g/mol
LogP4.28
Rot. Bonds3

About 4-(fluoromethyl)cyclohexan-1-one;methane;propyl hypofluorite

4-(fluoromethyl)cyclohexan-1-one;methane;propyl hypofluorite (PubChem CID 161415596) has the molecular formula C12H26F2O2 and a molecular weight of 240.33 g/mol. Its IUPAC name is 4-(fluoromethyl)cyclohexan-1-one;methane;propyl hypofluorite.

Molecular Properties

Compound Name4-(fluoromethyl)cyclohexan-1-one;methane;propyl hypofluorite
PubChem CID161415596
Molecular FormulaC12H26F2O2
Molecular Weight240.33 g/mol
Exact Mass240.19
IUPAC Name4-(fluoromethyl)cyclohexan-1-one;methane;propyl hypofluorite
SMILESC.C.CCCOF.O=C1CCC(CF)CC1
InChIInChI=1S/C7H11FO.C3H7FO.2CH4/c8-5-6-1-3-7(9)4-2-6;1-2-3-5-4;;/h6H,1-5H2;2-3H2,1H3;2*1H4
InChIKeyVWASOCIPTMOAPU-UHFFFAOYSA-N
XLogP4.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(fluoromethyl)cyclohexan-1-one;methane;propyl hypofluorite 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

4-Cyclohexyl-4-fluorobutan-2-one
CID 105435232
5,6,7-Trifluoro-4-methylheptane-2,3-dione
CID 21195307
1-Cyclohexyl-3,3-difluorobutan-2-one
CID 58122699
4-Butyl-2-fluorocyclohexan-1-one
CID 67910814
4-Butyl-3-fluorocyclohexan-1-one
CID 67910815
4-(1,1-Difluoroethyl)cyclohexanone
CID 68244083
1-(2,6-Difluorocyclohexyl)ethanone
CID 140418761
1-(4,4-Difluorocyclohexyl)ethanone;ethane
CID 142910288
1-(4,4-Difluorocyclohexyl)propan-1-one;ethane
CID 142910705
1-(4,4-Difluorocyclohexyl)propan-1-one;ethane
CID 142910746
Ethane;4-(trifluoromethyl)cyclohexan-1-one
CID 145136501
Butane;1-(4,4-difluorocyclohexyl)ethanone
CID 145610323

Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)cyclohexan-1-one;methane;propyl hypofluorite?
The IUPAC name of 4-(fluoromethyl)cyclohexan-1-one;methane;propyl hypofluorite (CID 161415596) is 4-(fluoromethyl)cyclohexan-1-one;methane;propyl hypofluorite.
What is the SMILES notation for 4-(fluoromethyl)cyclohexan-1-one;methane;propyl hypofluorite?
The canonical SMILES for 4-(fluoromethyl)cyclohexan-1-one;methane;propyl hypofluorite is C.C.CCCOF.O=C1CCC(CF)CC1.
What is the InChIKey of 4-(fluoromethyl)cyclohexan-1-one;methane;propyl hypofluorite?
The InChIKey is VWASOCIPTMOAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FO.C3H7FO.2CH4/c8-5-6-1-3-7(9)4-2-6;1-2-3-5-4;;/h6H,1-5H2;2-3H2,1H3;2*1H4.
What are the key properties of 4-(fluoromethyl)cyclohexan-1-one;methane;propyl hypofluorite?
4-(fluoromethyl)cyclohexan-1-one;methane;propyl hypofluorite has a molecular weight of 240.33 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)cyclohexan-1-one;methane;propyl hypofluorite is sourced from PubChem (CID 161415596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).