1-(2H-chromen-2-yl)-1,1,3,3,3-pentafluoropropan-2-one

C12H7F5O2 — CID 154585851

IUPAC1-(2H-chromen-2-yl)-1,1,3,3,3-pentafluoropropan-2-one
SMILESO=C(C(F)(F)F)C(F)(F)C1C=Cc2ccccc2O1
InChIInChI=1S/C12H7F5O2/c13-11(14,10(18)12(15,16)17)9-6-5-7-3-1-2-4-8(7)19-9/h1-6,9H
InChIKeyUXBQPUSIMJJRTO-UHFFFAOYSA-N
MW278.18 g/mol
LogP3.23
Rot. Bonds2

About 1-(2H-chromen-2-yl)-1,1,3,3,3-pentafluoropropan-2-one

1-(2H-chromen-2-yl)-1,1,3,3,3-pentafluoropropan-2-one (PubChem CID 154585851) has the molecular formula C12H7F5O2 and a molecular weight of 278.18 g/mol. Its IUPAC name is 1-(2H-chromen-2-yl)-1,1,3,3,3-pentafluoropropan-2-one.

Molecular Properties

Compound Name1-(2H-chromen-2-yl)-1,1,3,3,3-pentafluoropropan-2-one
PubChem CID154585851
Molecular FormulaC12H7F5O2
Molecular Weight278.18 g/mol
Exact Mass278.04
IUPAC Name1-(2H-chromen-2-yl)-1,1,3,3,3-pentafluoropropan-2-one
SMILESO=C(C(F)(F)F)C(F)(F)C1C=Cc2ccccc2O1
InChIInChI=1S/C12H7F5O2/c13-11(14,10(18)12(15,16)17)9-6-5-7-3-1-2-4-8(7)19-9/h1-6,9H
InChIKeyUXBQPUSIMJJRTO-UHFFFAOYSA-N
XLogP3.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.18
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2H-chromen-2-yl)-1,1,3,3,3-pentafluoropropan-2-one 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

(2S)-2-[4-(trifluoromethyl)phenyl]-2H-chromene
CID 118487630
2H-chromene-2-thiol
CID 154323304
N,N-dimethyl-2-(trifluoromethyl)-2H-chromene-3-carboxamide
CID 126840431
2-(1,1,2,2,2-pentafluoroethyl)-2H-chromen-3-ol
CID 18755186
2-[2-[4-(trifluoromethyl)phenyl]ethynyl]-2H-chromene
CID 154717761
6-(trifluoromethyl)-2H-chromene-2-carboxylic acid
CID 174270923
propan-2-yl 2H-chromene-2-carboxylate
CID 101402460
2H-chromene-2-carbonitrile;hydrate
CID 175108536
3-(1,3-benzodioxol-2-yl)-1,1,1-trifluoropropan-2-one
CID 146313281
[2-(trifluoromethyl)-2H-chromen-3-yl] hydrogen carbonate
CID 70002712
3-(2H-chromen-2-yl)-2-cyanoprop-2-enoic acid
CID 151036232
1H-indene-1-carboxylic acid;2,2,2-trifluoroacetic acid
CID 158788540

Frequently Asked Questions

What is the IUPAC name of 1-(2H-chromen-2-yl)-1,1,3,3,3-pentafluoropropan-2-one?
The IUPAC name of 1-(2H-chromen-2-yl)-1,1,3,3,3-pentafluoropropan-2-one (CID 154585851) is 1-(2H-chromen-2-yl)-1,1,3,3,3-pentafluoropropan-2-one.
What is the SMILES notation for 1-(2H-chromen-2-yl)-1,1,3,3,3-pentafluoropropan-2-one?
The canonical SMILES for 1-(2H-chromen-2-yl)-1,1,3,3,3-pentafluoropropan-2-one is O=C(C(F)(F)F)C(F)(F)C1C=Cc2ccccc2O1.
What is the InChIKey of 1-(2H-chromen-2-yl)-1,1,3,3,3-pentafluoropropan-2-one?
The InChIKey is UXBQPUSIMJJRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F5O2/c13-11(14,10(18)12(15,16)17)9-6-5-7-3-1-2-4-8(7)19-9/h1-6,9H.
What are the key properties of 1-(2H-chromen-2-yl)-1,1,3,3,3-pentafluoropropan-2-one?
1-(2H-chromen-2-yl)-1,1,3,3,3-pentafluoropropan-2-one has a molecular weight of 278.18 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2H-chromen-2-yl)-1,1,3,3,3-pentafluoropropan-2-one is sourced from PubChem (CID 154585851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).