cis-(1R,2R)-2-[2-(2,6-difluorophenyl)phenyl]cyclopropane-1-carbaldehyde

C16H12F2O — CID 174141637

IUPACcis-(1R,2R)-2-[2-(2,6-difluorophenyl)phenyl]cyclopropane-1-carbaldehyde
SMILESO=C[C@@H]1C[C@H]1c1ccccc1-c1c(F)cccc1F
InChIInChI=1S/C16H12F2O/c17-14-6-3-7-15(18)16(14)12-5-2-1-4-11(12)13-8-10(13)9-19/h1-7,9-10,13H,8H2/t10-,13+/m0/s1
InChIKeyYOBVEFMQQAYHGT-GXFFZTMASA-N
MW258.27 g/mol
LogP3.93
Rot. Bonds3

About cis-(1R,2R)-2-[2-(2,6-difluorophenyl)phenyl]cyclopropane-1-carbaldehyde

cis-(1R,2R)-2-[2-(2,6-difluorophenyl)phenyl]cyclopropane-1-carbaldehyde (PubChem CID 174141637) has the molecular formula C16H12F2O and a molecular weight of 258.27 g/mol. Its IUPAC name is cis-(1R,2R)-2-[2-(2,6-difluorophenyl)phenyl]cyclopropane-1-carbaldehyde.

Molecular Properties

Compound Namecis-(1R,2R)-2-[2-(2,6-difluorophenyl)phenyl]cyclopropane-1-carbaldehyde
PubChem CID174141637
Molecular FormulaC16H12F2O
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Namecis-(1R,2R)-2-[2-(2,6-difluorophenyl)phenyl]cyclopropane-1-carbaldehyde
SMILESO=C[C@@H]1C[C@H]1c1ccccc1-c1c(F)cccc1F
InChIInChI=1S/C16H12F2O/c17-14-6-3-7-15(18)16(14)12-5-2-1-4-11(12)13-8-10(13)9-19/h1-7,9-10,13H,8H2/t10-,13+/m0/s1
InChIKeyYOBVEFMQQAYHGT-GXFFZTMASA-N
XLogP3.93
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-[2-(2,6-difluorophenyl)phenyl]cyclopropane-1-carbaldehyde?
The IUPAC name of cis-(1R,2R)-2-[2-(2,6-difluorophenyl)phenyl]cyclopropane-1-carbaldehyde (CID 174141637) is cis-(1R,2R)-2-[2-(2,6-difluorophenyl)phenyl]cyclopropane-1-carbaldehyde.
What is the SMILES notation for cis-(1R,2R)-2-[2-(2,6-difluorophenyl)phenyl]cyclopropane-1-carbaldehyde?
The canonical SMILES for cis-(1R,2R)-2-[2-(2,6-difluorophenyl)phenyl]cyclopropane-1-carbaldehyde is O=C[C@@H]1C[C@H]1c1ccccc1-c1c(F)cccc1F.
What is the InChIKey of cis-(1R,2R)-2-[2-(2,6-difluorophenyl)phenyl]cyclopropane-1-carbaldehyde?
The InChIKey is YOBVEFMQQAYHGT-GXFFZTMASA-N. The full InChI is InChI=1S/C16H12F2O/c17-14-6-3-7-15(18)16(14)12-5-2-1-4-11(12)13-8-10(13)9-19/h1-7,9-10,13H,8H2/t10-,13+/m0/s1.
What are the key properties of cis-(1R,2R)-2-[2-(2,6-difluorophenyl)phenyl]cyclopropane-1-carbaldehyde?
cis-(1R,2R)-2-[2-(2,6-difluorophenyl)phenyl]cyclopropane-1-carbaldehyde has a molecular weight of 258.27 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-[2-(2,6-difluorophenyl)phenyl]cyclopropane-1-carbaldehyde is sourced from PubChem (CID 174141637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).