3-[3-(1-fluoroethyl)pyrrolidin-1-yl]propan-1-ol

C9H18FNO — CID 67281088

IUPAC3-[3-(1-fluoroethyl)pyrrolidin-1-yl]propan-1-ol
SMILESCC(F)C1CCN(CCCO)C1
InChIInChI=1S/C9H18FNO/c1-8(10)9-3-5-11(7-9)4-2-6-12/h8-9,12H,2-7H2,1H3
InChIKeyOPFWVFNOMMEWQR-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.05
Rot. Bonds4

About 3-[3-(1-fluoroethyl)pyrrolidin-1-yl]propan-1-ol

3-[3-(1-fluoroethyl)pyrrolidin-1-yl]propan-1-ol (PubChem CID 67281088) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is 3-[3-(1-fluoroethyl)pyrrolidin-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[3-(1-fluoroethyl)pyrrolidin-1-yl]propan-1-ol
PubChem CID67281088
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name3-[3-(1-fluoroethyl)pyrrolidin-1-yl]propan-1-ol
SMILESCC(F)C1CCN(CCCO)C1
InChIInChI=1S/C9H18FNO/c1-8(10)9-3-5-11(7-9)4-2-6-12/h8-9,12H,2-7H2,1H3
InChIKeyOPFWVFNOMMEWQR-UHFFFAOYSA-N
XLogP1.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-fluoroethyl)pyrrolidin-1-yl]propan-1-ol?
The IUPAC name of 3-[3-(1-fluoroethyl)pyrrolidin-1-yl]propan-1-ol (CID 67281088) is 3-[3-(1-fluoroethyl)pyrrolidin-1-yl]propan-1-ol.
What is the SMILES notation for 3-[3-(1-fluoroethyl)pyrrolidin-1-yl]propan-1-ol?
The canonical SMILES for 3-[3-(1-fluoroethyl)pyrrolidin-1-yl]propan-1-ol is CC(F)C1CCN(CCCO)C1.
What is the InChIKey of 3-[3-(1-fluoroethyl)pyrrolidin-1-yl]propan-1-ol?
The InChIKey is OPFWVFNOMMEWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c1-8(10)9-3-5-11(7-9)4-2-6-12/h8-9,12H,2-7H2,1H3.
What are the key properties of 3-[3-(1-fluoroethyl)pyrrolidin-1-yl]propan-1-ol?
3-[3-(1-fluoroethyl)pyrrolidin-1-yl]propan-1-ol has a molecular weight of 175.25 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-fluoroethyl)pyrrolidin-1-yl]propan-1-ol is sourced from PubChem (CID 67281088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).