2-[(4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl)methoxy]acetic acid

C10H17F2NO3 — CID 139341788

IUPAC2-[(4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl)methoxy]acetic acid
SMILESCC(C)N1CC(COCC(=O)O)C(F)(F)C1
InChIInChI=1S/C10H17F2NO3/c1-7(2)13-3-8(10(11,12)6-13)4-16-5-9(14)15/h7-8H,3-6H2,1-2H3,(H,14,15)
InChIKeyUUGUEHAJICWWTI-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.06
Rot. Bonds5

About 2-[(4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl)methoxy]acetic acid

2-[(4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl)methoxy]acetic acid (PubChem CID 139341788) has the molecular formula C10H17F2NO3 and a molecular weight of 237.25 g/mol. Its IUPAC name is 2-[(4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl)methoxy]acetic acid.

Molecular Properties

Compound Name2-[(4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl)methoxy]acetic acid
PubChem CID139341788
Molecular FormulaC10H17F2NO3
Molecular Weight237.25 g/mol
Exact Mass237.12
IUPAC Name2-[(4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl)methoxy]acetic acid
SMILESCC(C)N1CC(COCC(=O)O)C(F)(F)C1
InChIInChI=1S/C10H17F2NO3/c1-7(2)13-3-8(10(11,12)6-13)4-16-5-9(14)15/h7-8H,3-6H2,1-2H3,(H,14,15)
InChIKeyUUGUEHAJICWWTI-UHFFFAOYSA-N
XLogP1.06
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 134534004
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CID 139341661
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CID 153412221
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CID 153412228
CID 153412228
CID 153412250
CID 153412250
CID 166828230
CID 166828230
CID 84060390
CID 84060390
CID 66563768
CID 66563768
CID 84051969
CID 84051969
CID 84054162
CID 84054162
CID 96885381
CID 96885381
CID 96885385
CID 96885385

Frequently Asked Questions

What is the IUPAC name of 2-[(4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl)methoxy]acetic acid?
The IUPAC name of 2-[(4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl)methoxy]acetic acid (CID 139341788) is 2-[(4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl)methoxy]acetic acid.
What is the SMILES notation for 2-[(4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl)methoxy]acetic acid?
The canonical SMILES for 2-[(4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl)methoxy]acetic acid is CC(C)N1CC(COCC(=O)O)C(F)(F)C1.
What is the InChIKey of 2-[(4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl)methoxy]acetic acid?
The InChIKey is UUGUEHAJICWWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO3/c1-7(2)13-3-8(10(11,12)6-13)4-16-5-9(14)15/h7-8H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 2-[(4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl)methoxy]acetic acid?
2-[(4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl)methoxy]acetic acid has a molecular weight of 237.25 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl)methoxy]acetic acid is sourced from PubChem (CID 139341788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).