3-cyclohexyl-2-(3,4-difluorophenyl)prop-2-enoic acid

C15H16F2O2 — CID 67482893

IUPAC3-cyclohexyl-2-(3,4-difluorophenyl)prop-2-enoic acid
SMILESO=C(O)C(=CC1CCCCC1)c1ccc(F)c(F)c1
InChIInChI=1S/C15H16F2O2/c16-13-7-6-11(9-14(13)17)12(15(18)19)8-10-4-2-1-3-5-10/h6-10H,1-5H2,(H,18,19)
InChIKeyYDDZRCAUTVLBFS-UHFFFAOYSA-N
MW266.29 g/mol
LogP4.01
Rot. Bonds3

About 3-cyclohexyl-2-(3,4-difluorophenyl)prop-2-enoic acid

3-cyclohexyl-2-(3,4-difluorophenyl)prop-2-enoic acid (PubChem CID 67482893) has the molecular formula C15H16F2O2 and a molecular weight of 266.29 g/mol. Its IUPAC name is 3-cyclohexyl-2-(3,4-difluorophenyl)prop-2-enoic acid.

Molecular Properties

Compound Name3-cyclohexyl-2-(3,4-difluorophenyl)prop-2-enoic acid
PubChem CID67482893
Molecular FormulaC15H16F2O2
Molecular Weight266.29 g/mol
Exact Mass266.11
IUPAC Name3-cyclohexyl-2-(3,4-difluorophenyl)prop-2-enoic acid
SMILESO=C(O)C(=CC1CCCCC1)c1ccc(F)c(F)c1
InChIInChI=1S/C15H16F2O2/c16-13-7-6-11(9-14(13)17)12(15(18)19)8-10-4-2-1-3-5-10/h6-10H,1-5H2,(H,18,19)
InChIKeyYDDZRCAUTVLBFS-UHFFFAOYSA-N
XLogP4.01
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-(3,4-difluorophenyl)prop-2-enoic acid?
The IUPAC name of 3-cyclohexyl-2-(3,4-difluorophenyl)prop-2-enoic acid (CID 67482893) is 3-cyclohexyl-2-(3,4-difluorophenyl)prop-2-enoic acid.
What is the SMILES notation for 3-cyclohexyl-2-(3,4-difluorophenyl)prop-2-enoic acid?
The canonical SMILES for 3-cyclohexyl-2-(3,4-difluorophenyl)prop-2-enoic acid is O=C(O)C(=CC1CCCCC1)c1ccc(F)c(F)c1.
What is the InChIKey of 3-cyclohexyl-2-(3,4-difluorophenyl)prop-2-enoic acid?
The InChIKey is YDDZRCAUTVLBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2O2/c16-13-7-6-11(9-14(13)17)12(15(18)19)8-10-4-2-1-3-5-10/h6-10H,1-5H2,(H,18,19).
What are the key properties of 3-cyclohexyl-2-(3,4-difluorophenyl)prop-2-enoic acid?
3-cyclohexyl-2-(3,4-difluorophenyl)prop-2-enoic acid has a molecular weight of 266.29 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-(3,4-difluorophenyl)prop-2-enoic acid is sourced from PubChem (CID 67482893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).