(3S,4S)-4-fluoro-1-(1-propan-2-ylazetidin-3-yl)pyrrolidin-3-ol

C10H19FN2O — CID 156546476

IUPAC(3S,4S)-4-fluoro-1-(1-propan-2-ylazetidin-3-yl)pyrrolidin-3-ol
SMILESCC(C)N1CC(N2C[C@H](O)[C@@H](F)C2)C1
InChIInChI=1S/C10H19FN2O/c1-7(2)12-3-8(4-12)13-5-9(11)10(14)6-13/h7-10,14H,3-6H2,1-2H3/t9-,10-/m0/s1
InChIKeyVHPSHNABCRRLSI-UWVGGRQHSA-N
MW202.27 g/mol
LogP0.09
Rot. Bonds2

About (3S,4S)-4-fluoro-1-(1-propan-2-ylazetidin-3-yl)pyrrolidin-3-ol

(3S,4S)-4-fluoro-1-(1-propan-2-ylazetidin-3-yl)pyrrolidin-3-ol (PubChem CID 156546476) has the molecular formula C10H19FN2O and a molecular weight of 202.27 g/mol. Its IUPAC name is (3S,4S)-4-fluoro-1-(1-propan-2-ylazetidin-3-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-fluoro-1-(1-propan-2-ylazetidin-3-yl)pyrrolidin-3-ol
PubChem CID156546476
Molecular FormulaC10H19FN2O
Molecular Weight202.27 g/mol
Exact Mass202.15
IUPAC Name(3S,4S)-4-fluoro-1-(1-propan-2-ylazetidin-3-yl)pyrrolidin-3-ol
SMILESCC(C)N1CC(N2C[C@H](O)[C@@H](F)C2)C1
InChIInChI=1S/C10H19FN2O/c1-7(2)12-3-8(4-12)13-5-9(11)10(14)6-13/h7-10,14H,3-6H2,1-2H3/t9-,10-/m0/s1
InChIKeyVHPSHNABCRRLSI-UWVGGRQHSA-N
XLogP0.09
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.27
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-fluoro-1-(1-propan-2-ylazetidin-3-yl)pyrrolidin-3-ol?
The IUPAC name of (3S,4S)-4-fluoro-1-(1-propan-2-ylazetidin-3-yl)pyrrolidin-3-ol (CID 156546476) is (3S,4S)-4-fluoro-1-(1-propan-2-ylazetidin-3-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3S,4S)-4-fluoro-1-(1-propan-2-ylazetidin-3-yl)pyrrolidin-3-ol?
The canonical SMILES for (3S,4S)-4-fluoro-1-(1-propan-2-ylazetidin-3-yl)pyrrolidin-3-ol is CC(C)N1CC(N2C[C@H](O)[C@@H](F)C2)C1.
What is the InChIKey of (3S,4S)-4-fluoro-1-(1-propan-2-ylazetidin-3-yl)pyrrolidin-3-ol?
The InChIKey is VHPSHNABCRRLSI-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H19FN2O/c1-7(2)12-3-8(4-12)13-5-9(11)10(14)6-13/h7-10,14H,3-6H2,1-2H3/t9-,10-/m0/s1.
What are the key properties of (3S,4S)-4-fluoro-1-(1-propan-2-ylazetidin-3-yl)pyrrolidin-3-ol?
(3S,4S)-4-fluoro-1-(1-propan-2-ylazetidin-3-yl)pyrrolidin-3-ol has a molecular weight of 202.27 g/mol, XLogP of 0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-fluoro-1-(1-propan-2-ylazetidin-3-yl)pyrrolidin-3-ol is sourced from PubChem (CID 156546476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).