1-[1-(2-fluoroethyl)pyrrolidin-2-yl]propan-2-ol

C9H18FNO — CID 115758852

IUPAC1-[1-(2-fluoroethyl)pyrrolidin-2-yl]propan-2-ol
SMILESCC(O)CC1CCCN1CCF
InChIInChI=1S/C9H18FNO/c1-8(12)7-9-3-2-5-11(9)6-4-10/h8-9,12H,2-7H2,1H3
InChIKeyDHPGMRJKPCCMSK-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.19
Rot. Bonds4

About 1-[1-(2-fluoroethyl)pyrrolidin-2-yl]propan-2-ol

1-[1-(2-fluoroethyl)pyrrolidin-2-yl]propan-2-ol (PubChem CID 115758852) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is 1-[1-(2-fluoroethyl)pyrrolidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name1-[1-(2-fluoroethyl)pyrrolidin-2-yl]propan-2-ol
PubChem CID115758852
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC Name1-[1-(2-fluoroethyl)pyrrolidin-2-yl]propan-2-ol
SMILESCC(O)CC1CCCN1CCF
InChIInChI=1S/C9H18FNO/c1-8(12)7-9-3-2-5-11(9)6-4-10/h8-9,12H,2-7H2,1H3
InChIKeyDHPGMRJKPCCMSK-UHFFFAOYSA-N
XLogP1.19
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 ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-Methylpyrrolidin-2-yl)propan-2-ol
CID 270601
1-Methyl-2-pyrrolidineethanol
CID 93363
2-Pyrrolidinepropanol, 1-methyl-
CID 12261672
(S)-1-((S)-1-Methylpyrrolidin-2-yl)propan-2-ol
CID 11029951
Pseudohygroline
CID 12310695
Dihydrocuscohygrine
CID 11075129
endo-8-Isopropyl-8-azabicyclo(3.2.1)octan-3-ol
CID 103007
(alphaR,2R)-alpha,1-Dimethyl-2-pyrrolidineethanol
CID 442642
(+)-Pseudohygroline
CID 11029949
(R)-2-(1-methylpyrrolidin-2-yl)ethanol
CID 6950163
8-Butyl-3-hydroxy-8-methyl-8-azoniabicyclo[3.2.1]octane
CID 5003945
1-Methyl-2-pyrrolidineethanol, (2S)-
CID 643501

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluoroethyl)pyrrolidin-2-yl]propan-2-ol?
The IUPAC name of 1-[1-(2-fluoroethyl)pyrrolidin-2-yl]propan-2-ol (CID 115758852) is 1-[1-(2-fluoroethyl)pyrrolidin-2-yl]propan-2-ol.
What is the SMILES notation for 1-[1-(2-fluoroethyl)pyrrolidin-2-yl]propan-2-ol?
The canonical SMILES for 1-[1-(2-fluoroethyl)pyrrolidin-2-yl]propan-2-ol is CC(O)CC1CCCN1CCF.
What is the InChIKey of 1-[1-(2-fluoroethyl)pyrrolidin-2-yl]propan-2-ol?
The InChIKey is DHPGMRJKPCCMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c1-8(12)7-9-3-2-5-11(9)6-4-10/h8-9,12H,2-7H2,1H3.
What are the key properties of 1-[1-(2-fluoroethyl)pyrrolidin-2-yl]propan-2-ol?
1-[1-(2-fluoroethyl)pyrrolidin-2-yl]propan-2-ol has a molecular weight of 175.25 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluoroethyl)pyrrolidin-2-yl]propan-2-ol is sourced from PubChem (CID 115758852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).