2-(4,4,4-trifluorobutyl)cyclohexan-1-one

C10H15F3O — CID 115514577

IUPAC2-(4,4,4-trifluorobutyl)cyclohexan-1-one
SMILESO=C1CCCCC1CCCC(F)(F)F
InChIInChI=1S/C10H15F3O/c11-10(12,13)7-3-5-8-4-1-2-6-9(8)14/h8H,1-7H2
InChIKeyNGHWINWNFQIQBL-UHFFFAOYSA-N
MW208.22 g/mol
LogP3.48
Rot. Bonds3

About 2-(4,4,4-trifluorobutyl)cyclohexan-1-one

2-(4,4,4-trifluorobutyl)cyclohexan-1-one (PubChem CID 115514577) has the molecular formula C10H15F3O and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-(4,4,4-trifluorobutyl)cyclohexan-1-one.

Molecular Properties

Compound Name2-(4,4,4-trifluorobutyl)cyclohexan-1-one
PubChem CID115514577
Molecular FormulaC10H15F3O
Molecular Weight208.22 g/mol
Exact Mass208.11
IUPAC Name2-(4,4,4-trifluorobutyl)cyclohexan-1-one
SMILESO=C1CCCCC1CCCC(F)(F)F
InChIInChI=1S/C10H15F3O/c11-10(12,13)7-3-5-8-4-1-2-6-9(8)14/h8H,1-7H2
InChIKeyNGHWINWNFQIQBL-UHFFFAOYSA-N
XLogP3.48
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4,4-trifluorobutyl)cyclohexan-1-one?
The IUPAC name of 2-(4,4,4-trifluorobutyl)cyclohexan-1-one (CID 115514577) is 2-(4,4,4-trifluorobutyl)cyclohexan-1-one.
What is the SMILES notation for 2-(4,4,4-trifluorobutyl)cyclohexan-1-one?
The canonical SMILES for 2-(4,4,4-trifluorobutyl)cyclohexan-1-one is O=C1CCCCC1CCCC(F)(F)F.
What is the InChIKey of 2-(4,4,4-trifluorobutyl)cyclohexan-1-one?
The InChIKey is NGHWINWNFQIQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3O/c11-10(12,13)7-3-5-8-4-1-2-6-9(8)14/h8H,1-7H2.
What are the key properties of 2-(4,4,4-trifluorobutyl)cyclohexan-1-one?
2-(4,4,4-trifluorobutyl)cyclohexan-1-one has a molecular weight of 208.22 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4,4-trifluorobutyl)cyclohexan-1-one is sourced from PubChem (CID 115514577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).