ethane;1-(3-fluorophenyl)cyclopropane-1-carbaldehyde

C12H15FO — CID 177135827

IUPACethane;1-(3-fluorophenyl)cyclopropane-1-carbaldehyde
SMILESCC.O=CC1(c2cccc(F)c2)CC1
InChIInChI=1S/C10H9FO.C2H6/c11-9-3-1-2-8(6-9)10(7-12)4-5-10;1-2/h1-3,6-7H,4-5H2;1-2H3
InChIKeyLNTYGNAFZQPJEV-UHFFFAOYSA-N
MW194.25 g/mol
LogP3.08
Rot. Bonds2

About ethane;1-(3-fluorophenyl)cyclopropane-1-carbaldehyde

ethane;1-(3-fluorophenyl)cyclopropane-1-carbaldehyde (PubChem CID 177135827) has the molecular formula C12H15FO and a molecular weight of 194.25 g/mol. Its IUPAC name is ethane;1-(3-fluorophenyl)cyclopropane-1-carbaldehyde.

Molecular Properties

Compound Nameethane;1-(3-fluorophenyl)cyclopropane-1-carbaldehyde
PubChem CID177135827
Molecular FormulaC12H15FO
Molecular Weight194.25 g/mol
Exact Mass194.11
IUPAC Nameethane;1-(3-fluorophenyl)cyclopropane-1-carbaldehyde
SMILESCC.O=CC1(c2cccc(F)c2)CC1
InChIInChI=1S/C10H9FO.C2H6/c11-9-3-1-2-8(6-9)10(7-12)4-5-10;1-2/h1-3,6-7H,4-5H2;1-2H3
InChIKeyLNTYGNAFZQPJEV-UHFFFAOYSA-N
XLogP3.08
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 53.08
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

1-phenylcyclopropane-1-carbaldehyde
CID 11008055
1-fluoro-3-(1-methylcyclopropyl)benzene
CID 90779989
1-(3-methoxyphenyl)cyclobutane-1-carbaldehyde
CID 83684685
1-(3,4-dimethylphenyl)cyclopropane-1-carbaldehyde
CID 83683025
ethane;1-(4-methylphenyl)cyclopropane-1-carbaldehyde
CID 143873127
acetaldehyde;1,3-difluorobenzene
CID 160854263
1-(3,4-difluorophenyl)cyclobutane-1-carbaldehyde
CID 22722131
1-(3-chlorophenyl)cyclohexane-1-carbaldehyde
CID 82127956
1-[1-(1,1-difluoroethyl)cyclobutyl]-3-fluorobenzene
CID 84723631
1-(3-fluorophenyl)cyclopropan-1-amine;hydrochloride
CID 53256538
1-fluoro-3-[1-(2-fluoropropan-2-yl)cyclopropyl]benzene
CID 84720738
N-[4-(3-fluorophenyl)oxan-4-yl]formamide
CID 175327323

Frequently Asked Questions

What is the IUPAC name of ethane;1-(3-fluorophenyl)cyclopropane-1-carbaldehyde?
The IUPAC name of ethane;1-(3-fluorophenyl)cyclopropane-1-carbaldehyde (CID 177135827) is ethane;1-(3-fluorophenyl)cyclopropane-1-carbaldehyde.
What is the SMILES notation for ethane;1-(3-fluorophenyl)cyclopropane-1-carbaldehyde?
The canonical SMILES for ethane;1-(3-fluorophenyl)cyclopropane-1-carbaldehyde is CC.O=CC1(c2cccc(F)c2)CC1.
What is the InChIKey of ethane;1-(3-fluorophenyl)cyclopropane-1-carbaldehyde?
The InChIKey is LNTYGNAFZQPJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO.C2H6/c11-9-3-1-2-8(6-9)10(7-12)4-5-10;1-2/h1-3,6-7H,4-5H2;1-2H3.
What are the key properties of ethane;1-(3-fluorophenyl)cyclopropane-1-carbaldehyde?
ethane;1-(3-fluorophenyl)cyclopropane-1-carbaldehyde has a molecular weight of 194.25 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(3-fluorophenyl)cyclopropane-1-carbaldehyde is sourced from PubChem (CID 177135827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).