carbonic acid;cyclopropyl-(4-fluorophenyl)methanone

C11H11FO4 — CID 70591136

IUPACcarbonic acid;cyclopropyl-(4-fluorophenyl)methanone
SMILESO=C(O)O.O=C(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C10H9FO.CH2O3/c11-9-5-3-8(4-6-9)10(12)7-1-2-7;2-1(3)4/h3-7H,1-2H2;(H2,2,3,4)
InChIKeySVDMHOIOOPDKMV-UHFFFAOYSA-N
MW226.20 g/mol
LogP2.64
Rot. Bonds2

About carbonic acid;cyclopropyl-(4-fluorophenyl)methanone

carbonic acid;cyclopropyl-(4-fluorophenyl)methanone (PubChem CID 70591136) has the molecular formula C11H11FO4 and a molecular weight of 226.20 g/mol. Its IUPAC name is carbonic acid;cyclopropyl-(4-fluorophenyl)methanone.

Molecular Properties

Compound Namecarbonic acid;cyclopropyl-(4-fluorophenyl)methanone
PubChem CID70591136
Molecular FormulaC11H11FO4
Molecular Weight226.20 g/mol
Exact Mass226.06
IUPAC Namecarbonic acid;cyclopropyl-(4-fluorophenyl)methanone
SMILESO=C(O)O.O=C(c1ccc(F)cc1)C1CC1
InChIInChI=1S/C10H9FO.CH2O3/c11-9-5-3-8(4-6-9)10(12)7-1-2-7;2-1(3)4/h3-7H,1-2H2;(H2,2,3,4)
InChIKeySVDMHOIOOPDKMV-UHFFFAOYSA-N
XLogP2.64
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluorobenzoyl)cyclopentane-1-carboxylic acid
CID 53436277
(4-tert-butylcyclohexyl)-(4-fluorophenyl)methanone
CID 63491613
3-(4-fluorobenzoyl)cyclohexane-1-carboxylic acid
CID 53436276
(4-benzoylcyclohexyl)-phenylmethanone
CID 24722598
4-(4-carboxycyclohexanecarbonyl)benzoic acid
CID 71338600
(4-fluorophenyl)-(1-propylpiperidin-4-yl)methanone
CID 21322169
2-[4-(4-fluorobenzoyl)piperidin-1-yl]acetonitrile
CID 3020042
3-(4-fluorobenzoyl)cyclohexan-1-one
CID 79625702
cis-(1R,2S)-2-(4-fluorobenzoyl)cyclohexane-1-carboxylic acid
CID 2725092
N-[4-(cyclopropanecarbonyl)phenyl]-1-(4-fluorophenyl)methanesulfonamide
CID 110604230
[4-(4-fluorobenzoyl)piperidin-1-yl] 2,2-dimethylpropanoate
CID 174578442
[1-(3-fluorobenzoyl)piperidin-4-yl]-(4-fluorophenyl)methanone
CID 1438163

Frequently Asked Questions

What is the IUPAC name of carbonic acid;cyclopropyl-(4-fluorophenyl)methanone?
The IUPAC name of carbonic acid;cyclopropyl-(4-fluorophenyl)methanone (CID 70591136) is carbonic acid;cyclopropyl-(4-fluorophenyl)methanone.
What is the SMILES notation for carbonic acid;cyclopropyl-(4-fluorophenyl)methanone?
The canonical SMILES for carbonic acid;cyclopropyl-(4-fluorophenyl)methanone is O=C(O)O.O=C(c1ccc(F)cc1)C1CC1.
What is the InChIKey of carbonic acid;cyclopropyl-(4-fluorophenyl)methanone?
The InChIKey is SVDMHOIOOPDKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO.CH2O3/c11-9-5-3-8(4-6-9)10(12)7-1-2-7;2-1(3)4/h3-7H,1-2H2;(H2,2,3,4).
What are the key properties of carbonic acid;cyclopropyl-(4-fluorophenyl)methanone?
carbonic acid;cyclopropyl-(4-fluorophenyl)methanone has a molecular weight of 226.20 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;cyclopropyl-(4-fluorophenyl)methanone is sourced from PubChem (CID 70591136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).