cis-(1R,2R)-2-(3,4-difluorophenyl)cyclopropane-1-carbaldehyde

C10H8F2O — CID 95994342

IUPACcis-(1R,2R)-2-(3,4-difluorophenyl)cyclopropane-1-carbaldehyde
SMILESO=C[C@@H]1C[C@H]1c1ccc(F)c(F)c1
InChIInChI=1S/C10H8F2O/c11-9-2-1-6(4-10(9)12)8-3-7(8)5-13/h1-2,4-5,7-8H,3H2/t7-,8-/m0/s1
InChIKeyUYYPPOWZXOPPKC-YUMQZZPRSA-N
MW182.17 g/mol
LogP2.27
Rot. Bonds2

About cis-(1R,2R)-2-(3,4-difluorophenyl)cyclopropane-1-carbaldehyde

cis-(1R,2R)-2-(3,4-difluorophenyl)cyclopropane-1-carbaldehyde (PubChem CID 95994342) has the molecular formula C10H8F2O and a molecular weight of 182.17 g/mol. Its IUPAC name is cis-(1R,2R)-2-(3,4-difluorophenyl)cyclopropane-1-carbaldehyde.

Molecular Properties

Compound Namecis-(1R,2R)-2-(3,4-difluorophenyl)cyclopropane-1-carbaldehyde
PubChem CID95994342
Molecular FormulaC10H8F2O
Molecular Weight182.17 g/mol
Exact Mass182.05
IUPAC Namecis-(1R,2R)-2-(3,4-difluorophenyl)cyclopropane-1-carbaldehyde
SMILESO=C[C@@H]1C[C@H]1c1ccc(F)c(F)c1
InChIInChI=1S/C10H8F2O/c11-9-2-1-6(4-10(9)12)8-3-7(8)5-13/h1-2,4-5,7-8H,3H2/t7-,8-/m0/s1
InChIKeyUYYPPOWZXOPPKC-YUMQZZPRSA-N
XLogP2.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.17
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(3-fluoro-4-methoxyphenyl)cyclopropane-1-carbaldehyde
CID 20792250
trans-(1S,2R)-2-(3,4-difluorophenyl)cyclopropan-1-amine;trans-(1R,2S)-2-(3,4-difluorophenyl)cyclopropan-1-amine
CID 154925657
cis-(1R,2R)-2-(4-methylphenyl)cyclopropane-1-carbaldehyde
CID 45083364
2-(4-hydroxyphenyl)cyclopropane-1-carbaldehyde
CID 75532034
2-(3,4-dimethoxyphenyl)cyclopropane-1-carbaldehyde
CID 22347501
ethane;2-(4-methylphenyl)cyclopropane-1-carbaldehyde
CID 142479351
(4R)-4-(3,4-difluorophenyl)oxolane-2-carbaldehyde
CID 175077173
4-cyclopropyl-1,2-difluorobenzene;formic acid
CID 144529056
cis-(1R,2S)-2-(3,4-difluorophenyl)cyclopropane-1-carboxamide
CID 124562405
N-[2-(3,4-difluorophenyl)cyclopropyl]methanethioamide
CID 123679998
[(1R,2R)-2-(3,4-difluorophenyl)cyclopropyl]methanamine
CID 94556780
2-(3,4-difluorophenyl)-N-methylcyclopropan-1-amine
CID 22736783

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-(3,4-difluorophenyl)cyclopropane-1-carbaldehyde?
The IUPAC name of cis-(1R,2R)-2-(3,4-difluorophenyl)cyclopropane-1-carbaldehyde (CID 95994342) is cis-(1R,2R)-2-(3,4-difluorophenyl)cyclopropane-1-carbaldehyde.
What is the SMILES notation for cis-(1R,2R)-2-(3,4-difluorophenyl)cyclopropane-1-carbaldehyde?
The canonical SMILES for cis-(1R,2R)-2-(3,4-difluorophenyl)cyclopropane-1-carbaldehyde is O=C[C@@H]1C[C@H]1c1ccc(F)c(F)c1.
What is the InChIKey of cis-(1R,2R)-2-(3,4-difluorophenyl)cyclopropane-1-carbaldehyde?
The InChIKey is UYYPPOWZXOPPKC-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H8F2O/c11-9-2-1-6(4-10(9)12)8-3-7(8)5-13/h1-2,4-5,7-8H,3H2/t7-,8-/m0/s1.
What are the key properties of cis-(1R,2R)-2-(3,4-difluorophenyl)cyclopropane-1-carbaldehyde?
cis-(1R,2R)-2-(3,4-difluorophenyl)cyclopropane-1-carbaldehyde has a molecular weight of 182.17 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-(3,4-difluorophenyl)cyclopropane-1-carbaldehyde is sourced from PubChem (CID 95994342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).