2-cyclopentyl-4,4-difluoro-3-hydroxypyrrolidine-1-carbaldehyde

C10H15F2NO2 — CID 175542192

IUPAC2-cyclopentyl-4,4-difluoro-3-hydroxypyrrolidine-1-carbaldehyde
SMILESO=CN1CC(F)(F)C(O)C1C1CCCC1
InChIInChI=1S/C10H15F2NO2/c11-10(12)5-13(6-14)8(9(10)15)7-3-1-2-4-7/h6-9,15H,1-5H2
InChIKeyGPORATWAONJIGO-UHFFFAOYSA-N
MW219.23 g/mol
LogP1.01
Rot. Bonds2

About 2-cyclopentyl-4,4-difluoro-3-hydroxypyrrolidine-1-carbaldehyde

2-cyclopentyl-4,4-difluoro-3-hydroxypyrrolidine-1-carbaldehyde (PubChem CID 175542192) has the molecular formula C10H15F2NO2 and a molecular weight of 219.23 g/mol. Its IUPAC name is 2-cyclopentyl-4,4-difluoro-3-hydroxypyrrolidine-1-carbaldehyde.

Molecular Properties

Compound Name2-cyclopentyl-4,4-difluoro-3-hydroxypyrrolidine-1-carbaldehyde
PubChem CID175542192
Molecular FormulaC10H15F2NO2
Molecular Weight219.23 g/mol
Exact Mass219.11
IUPAC Name2-cyclopentyl-4,4-difluoro-3-hydroxypyrrolidine-1-carbaldehyde
SMILESO=CN1CC(F)(F)C(O)C1C1CCCC1
InChIInChI=1S/C10H15F2NO2/c11-10(12)5-13(6-14)8(9(10)15)7-3-1-2-4-7/h6-9,15H,1-5H2
InChIKeyGPORATWAONJIGO-UHFFFAOYSA-N
XLogP1.01
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.23
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3,3-Difluorocyclobutyl)-4,4-difluoro-3-hydroxypyrrolidine-1-carbaldehyde
CID 175542186
3,3,3-Trifluoro-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]propan-1-one
CID 79544000
4,4,4-Trifluoro-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]butan-1-one
CID 79544002
1-[2-(2-Hydroxycyclopentyl)pyrrolidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 103209220
2-[1-(4,4,4-Trifluorobutyl)pyrrolidin-2-yl]cyclopentan-1-ol
CID 113569247
2-[1-(3,3,3-Trifluoro-2-hydroxypropyl)pyrrolidin-2-yl]cyclopentan-1-ol
CID 113569259
2-[1-(3,3,3-Trifluoropropyl)pyrrolidin-2-yl]cyclopentan-1-ol
CID 114339029
2-[1-(2,2,2-Trifluoroethyl)pyrrolidin-2-yl]cyclopentan-1-ol
CID 114339068
2-[1-(2,2-Difluoroethyl)pyrrolidin-2-yl]cyclopentan-1-ol
CID 114339091
2-[1-[2-(Trifluoromethoxy)ethyl]pyrrolidin-2-yl]cyclopentan-1-ol
CID 114339297
2-[1-[2-(2,2,2-Trifluoroethoxy)ethyl]pyrrolidin-2-yl]cyclopentan-1-ol
CID 114339325

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4,4-difluoro-3-hydroxypyrrolidine-1-carbaldehyde?
The IUPAC name of 2-cyclopentyl-4,4-difluoro-3-hydroxypyrrolidine-1-carbaldehyde (CID 175542192) is 2-cyclopentyl-4,4-difluoro-3-hydroxypyrrolidine-1-carbaldehyde.
What is the SMILES notation for 2-cyclopentyl-4,4-difluoro-3-hydroxypyrrolidine-1-carbaldehyde?
The canonical SMILES for 2-cyclopentyl-4,4-difluoro-3-hydroxypyrrolidine-1-carbaldehyde is O=CN1CC(F)(F)C(O)C1C1CCCC1.
What is the InChIKey of 2-cyclopentyl-4,4-difluoro-3-hydroxypyrrolidine-1-carbaldehyde?
The InChIKey is GPORATWAONJIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2NO2/c11-10(12)5-13(6-14)8(9(10)15)7-3-1-2-4-7/h6-9,15H,1-5H2.
What are the key properties of 2-cyclopentyl-4,4-difluoro-3-hydroxypyrrolidine-1-carbaldehyde?
2-cyclopentyl-4,4-difluoro-3-hydroxypyrrolidine-1-carbaldehyde has a molecular weight of 219.23 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4,4-difluoro-3-hydroxypyrrolidine-1-carbaldehyde is sourced from PubChem (CID 175542192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).