carbonic acid;4-cyclopropyl-2-fluoro-1-phenylbenzene

C16H15FO3 — CID 121300210

IUPACcarbonic acid;4-cyclopropyl-2-fluoro-1-phenylbenzene
SMILESFc1cc(C2CC2)ccc1-c1ccccc1.O=C(O)O
InChIInChI=1S/C15H13F.CH2O3/c16-15-10-13(11-6-7-11)8-9-14(15)12-4-2-1-3-5-12;2-1(3)4/h1-5,8-11H,6-7H2;(H2,2,3,4)
InChIKeyAMCSZYHVLKLABF-UHFFFAOYSA-N
MW274.29 g/mol
LogP4.59
Rot. Bonds2

About carbonic acid;4-cyclopropyl-2-fluoro-1-phenylbenzene

carbonic acid;4-cyclopropyl-2-fluoro-1-phenylbenzene (PubChem CID 121300210) has the molecular formula C16H15FO3 and a molecular weight of 274.29 g/mol. Its IUPAC name is carbonic acid;4-cyclopropyl-2-fluoro-1-phenylbenzene.

Molecular Properties

Compound Namecarbonic acid;4-cyclopropyl-2-fluoro-1-phenylbenzene
PubChem CID121300210
Molecular FormulaC16H15FO3
Molecular Weight274.29 g/mol
Exact Mass274.10
IUPAC Namecarbonic acid;4-cyclopropyl-2-fluoro-1-phenylbenzene
SMILESFc1cc(C2CC2)ccc1-c1ccccc1.O=C(O)O
InChIInChI=1S/C15H13F.CH2O3/c16-15-10-13(11-6-7-11)8-9-14(15)12-4-2-1-3-5-12;2-1(3)4/h1-5,8-11H,6-7H2;(H2,2,3,4)
InChIKeyAMCSZYHVLKLABF-UHFFFAOYSA-N
XLogP4.59
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of carbonic acid;4-cyclopropyl-2-fluoro-1-phenylbenzene?
The IUPAC name of carbonic acid;4-cyclopropyl-2-fluoro-1-phenylbenzene (CID 121300210) is carbonic acid;4-cyclopropyl-2-fluoro-1-phenylbenzene.
What is the SMILES notation for carbonic acid;4-cyclopropyl-2-fluoro-1-phenylbenzene?
The canonical SMILES for carbonic acid;4-cyclopropyl-2-fluoro-1-phenylbenzene is Fc1cc(C2CC2)ccc1-c1ccccc1.O=C(O)O.
What is the InChIKey of carbonic acid;4-cyclopropyl-2-fluoro-1-phenylbenzene?
The InChIKey is AMCSZYHVLKLABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F.CH2O3/c16-15-10-13(11-6-7-11)8-9-14(15)12-4-2-1-3-5-12;2-1(3)4/h1-5,8-11H,6-7H2;(H2,2,3,4).
What are the key properties of carbonic acid;4-cyclopropyl-2-fluoro-1-phenylbenzene?
carbonic acid;4-cyclopropyl-2-fluoro-1-phenylbenzene has a molecular weight of 274.29 g/mol, XLogP of 4.59, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;4-cyclopropyl-2-fluoro-1-phenylbenzene is sourced from PubChem (CID 121300210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).