formic acid;2-(trifluoromethyl)bicyclo[2.2.0]hexa-1,3,5-triene

C8H5F3O2 — CID 174724121

IUPACformic acid;2-(trifluoromethyl)bicyclo[2.2.0]hexa-1,3,5-triene
SMILESFC(F)(F)c1cc2ccc1-2.O=CO
InChIInChI=1S/C7H3F3.CH2O2/c8-7(9,10)6-3-4-1-2-5(4)6;2-1-3/h1-3H;1H,(H,2,3)
InChIKeyDEIFKWCVDAEEJA-UHFFFAOYSA-N
MW190.12 g/mol
LogP2.39
Rot. Bonds

About formic acid;2-(trifluoromethyl)bicyclo[2.2.0]hexa-1,3,5-triene

formic acid;2-(trifluoromethyl)bicyclo[2.2.0]hexa-1,3,5-triene (PubChem CID 174724121) has the molecular formula C8H5F3O2 and a molecular weight of 190.12 g/mol. Its IUPAC name is formic acid;2-(trifluoromethyl)bicyclo[2.2.0]hexa-1,3,5-triene.

Molecular Properties

Compound Nameformic acid;2-(trifluoromethyl)bicyclo[2.2.0]hexa-1,3,5-triene
PubChem CID174724121
Molecular FormulaC8H5F3O2
Molecular Weight190.12 g/mol
Exact Mass190.02
IUPAC Nameformic acid;2-(trifluoromethyl)bicyclo[2.2.0]hexa-1,3,5-triene
SMILESFC(F)(F)c1cc2ccc1-2.O=CO
InChIInChI=1S/C7H3F3.CH2O2/c8-7(9,10)6-3-4-1-2-5(4)6;2-1-3/h1-3H;1H,(H,2,3)
InChIKeyDEIFKWCVDAEEJA-UHFFFAOYSA-N
XLogP2.39
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.12
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-3-(trifluoromethyl)benzaldehyde
CID 139490393
4-[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-3-(trifluoromethyl)benzaldehyde
CID 158617401
2-fluorobicyclo[3.1.0]hexa-1,3,5-triene;formic acid
CID 174478475
1,2-dichloro-4-[4-chloro-2-(trifluoromethyl)phenyl]benzene
CID 134627973
5-fluoro-2-[4-fluoro-3-(trifluoromethyl)phenyl]phenol
CID 107290811
1-(3,4-dichlorophenyl)-2,4-bis(trifluoromethyl)benzene
CID 173271206
4-[4-(4-amino-2-fluorophenyl)-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)aniline
CID 145340486
3-[4-phenyl-3-(trifluoromethyl)phenyl]prop-2-ynal
CID 169162699
4-(2,4-dimethylphenyl)-2-(trifluoromethyl)benzoic acid
CID 107333245
4-(6-methoxynaphthalen-2-yl)-3-(trifluoromethyl)benzoic acid
CID 67974824
4-bromo-1-(4-fluorophenyl)-2-(trifluoromethyl)benzene
CID 164893029
8-(trifluoromethyl)-3-azatricyclo[4.2.2.22,5]dodeca-1(8),2,4,6,9,11-hexaene
CID 173310828

Frequently Asked Questions

What is the IUPAC name of formic acid;2-(trifluoromethyl)bicyclo[2.2.0]hexa-1,3,5-triene?
The IUPAC name of formic acid;2-(trifluoromethyl)bicyclo[2.2.0]hexa-1,3,5-triene (CID 174724121) is formic acid;2-(trifluoromethyl)bicyclo[2.2.0]hexa-1,3,5-triene.
What is the SMILES notation for formic acid;2-(trifluoromethyl)bicyclo[2.2.0]hexa-1,3,5-triene?
The canonical SMILES for formic acid;2-(trifluoromethyl)bicyclo[2.2.0]hexa-1,3,5-triene is FC(F)(F)c1cc2ccc1-2.O=CO.
What is the InChIKey of formic acid;2-(trifluoromethyl)bicyclo[2.2.0]hexa-1,3,5-triene?
The InChIKey is DEIFKWCVDAEEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F3.CH2O2/c8-7(9,10)6-3-4-1-2-5(4)6;2-1-3/h1-3H;1H,(H,2,3).
What are the key properties of formic acid;2-(trifluoromethyl)bicyclo[2.2.0]hexa-1,3,5-triene?
formic acid;2-(trifluoromethyl)bicyclo[2.2.0]hexa-1,3,5-triene has a molecular weight of 190.12 g/mol, XLogP of 2.39, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;2-(trifluoromethyl)bicyclo[2.2.0]hexa-1,3,5-triene is sourced from PubChem (CID 174724121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).