(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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Related Compounds

(3R,4S)-4-tert-butyl-3-fluoro-1-(1-propan-2-ylazetidin-3-yl)piperidine
CID 167278579
1-propan-2-yl-3-[3-(3-propan-2-ylazetidin-1-yl)azetidin-1-yl]azetidine
CID 166559631
1-(1-propan-2-ylazetidin-3-yl)-3,6-dihydro-2H-pyridine
CID 170255458
4-(dimethylamino)-1-propan-2-ylpyrrolidin-3-ol
CID 130191633
4-(1-propan-2-ylazetidin-3-yl)morpholine
CID 58547003
(3S,5R)-3,5-difluoro-1-propan-2-ylpiperidine
CID 176851982
(1R,5S)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-ol
CID 163526675
5-propan-2-yl-2-(2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 167418012
(3S,4R)-1-tert-butyl-4-fluoropyrrolidin-3-ol
CID 159687975
(7R,8aR)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-ol
CID 167155883
1-(1-cyclohexylazetidin-3-yl)-4-propan-2-ylpiperazine
CID 126892268
(3S,4R)-4-fluoro-N,N-dimethyl-1-propan-2-ylpyrrolidin-3-amine
CID 168909805

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).