3-[(3S)-3-fluoropyrrolidin-1-yl]propan-1-ol

C7H14FNO — CID 68776394

IUPAC3-[(3S)-3-fluoropyrrolidin-1-yl]propan-1-ol
SMILESOCCCN1CC[C@H](F)C1
InChIInChI=1S/C7H14FNO/c8-7-2-4-9(6-7)3-1-5-10/h7,10H,1-6H2/t7-/m0/s1
InChIKeyKCFTZYCHXFDVCH-ZETCQYMHSA-N
MW147.19 g/mol
LogP0.41
Rot. Bonds3

About 3-[(3S)-3-fluoropyrrolidin-1-yl]propan-1-ol

3-[(3S)-3-fluoropyrrolidin-1-yl]propan-1-ol (PubChem CID 68776394) has the molecular formula C7H14FNO and a molecular weight of 147.19 g/mol. Its IUPAC name is 3-[(3S)-3-fluoropyrrolidin-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[(3S)-3-fluoropyrrolidin-1-yl]propan-1-ol
PubChem CID68776394
Molecular FormulaC7H14FNO
Molecular Weight147.19 g/mol
Exact Mass147.11
IUPAC Name3-[(3S)-3-fluoropyrrolidin-1-yl]propan-1-ol
SMILESOCCCN1CC[C@H](F)C1
InChIInChI=1S/C7H14FNO/c8-7-2-4-9(6-7)3-1-5-10/h7,10H,1-6H2/t7-/m0/s1
InChIKeyKCFTZYCHXFDVCH-ZETCQYMHSA-N
XLogP0.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.19
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Pyrrolidinepropanol
CID 209342
(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-ol
CID 64116183
3-(3-Fluoropyrrolidin-1-yl)propan-1-ol
CID 17980545
1-(2-Fluoroethyl)pyrrolidin-3-ol
CID 22436476
1-(2,2-Difluoroethyl)pyrrolidin-3-ol
CID 62918041
(3S)-1-(2,2-difluoroethyl)pyrrolidin-3-ol
CID 64115141
1-(3-Fluoropropyl)pyrrolidin-3-ol
CID 81113801
2,2-Difluoro-3-(pyrrolidin-1-yl)propan-1-ol hydrochloride
CID 145874366
Pyrrolidinylethanol
CID 17981833
Pyrrolidylpropanol
CID 17982940
(3R,4R)-3,4-Difluoro-1-pyrrolidineethanol
CID 11708080
Fluoro(pyrrolidin-1-yl)methanol
CID 17859408

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-fluoropyrrolidin-1-yl]propan-1-ol?
The IUPAC name of 3-[(3S)-3-fluoropyrrolidin-1-yl]propan-1-ol (CID 68776394) is 3-[(3S)-3-fluoropyrrolidin-1-yl]propan-1-ol.
What is the SMILES notation for 3-[(3S)-3-fluoropyrrolidin-1-yl]propan-1-ol?
The canonical SMILES for 3-[(3S)-3-fluoropyrrolidin-1-yl]propan-1-ol is OCCCN1CC[C@H](F)C1.
What is the InChIKey of 3-[(3S)-3-fluoropyrrolidin-1-yl]propan-1-ol?
The InChIKey is KCFTZYCHXFDVCH-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H14FNO/c8-7-2-4-9(6-7)3-1-5-10/h7,10H,1-6H2/t7-/m0/s1.
What are the key properties of 3-[(3S)-3-fluoropyrrolidin-1-yl]propan-1-ol?
3-[(3S)-3-fluoropyrrolidin-1-yl]propan-1-ol has a molecular weight of 147.19 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-fluoropyrrolidin-1-yl]propan-1-ol is sourced from PubChem (CID 68776394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).