(3R,4S)-4-fluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidin-3-ol

C12H22FNO2 — CID 170926422

IUPAC(3R,4S)-4-fluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidin-3-ol
SMILESCC(C)OCC1(CN2C[C@@H](O)[C@@H](F)C2)CC1
InChIInChI=1S/C12H22FNO2/c1-9(2)16-8-12(3-4-12)7-14-5-10(13)11(15)6-14/h9-11,15H,3-8H2,1-2H3/t10-,11+/m0/s1
InChIKeyOFSMHUCNWAESCW-WDEREUQCSA-N
MW231.31 g/mol
LogP1.21
Rot. Bonds5

About (3R,4S)-4-fluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidin-3-ol

(3R,4S)-4-fluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidin-3-ol (PubChem CID 170926422) has the molecular formula C12H22FNO2 and a molecular weight of 231.31 g/mol. Its IUPAC name is (3R,4S)-4-fluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4S)-4-fluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidin-3-ol
PubChem CID170926422
Molecular FormulaC12H22FNO2
Molecular Weight231.31 g/mol
Exact Mass231.16
IUPAC Name(3R,4S)-4-fluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidin-3-ol
SMILESCC(C)OCC1(CN2C[C@@H](O)[C@@H](F)C2)CC1
InChIInChI=1S/C12H22FNO2/c1-9(2)16-8-12(3-4-12)7-14-5-10(13)11(15)6-14/h9-11,15H,3-8H2,1-2H3/t10-,11+/m0/s1
InChIKeyOFSMHUCNWAESCW-WDEREUQCSA-N
XLogP1.21
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.31
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4R)-3-fluoro-4-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine
CID 170926296
1-[1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]azetidin-3-yl]ethanone
CID 178037963
(3S,4R)-4-fluoro-3-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine
CID 170926336
6-methyl-3-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-3,6-diazabicyclo[3.2.0]heptane
CID 170676624
4-fluoro-1-[[1-(propan-2-yloxymethyl)cyclobutyl]methyl]piperidine
CID 177010231
(3R)-3-methyl-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidine
CID 175612155
3,3-dimethyl-1-[2-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]butan-1-one
CID 169289992
(3S)-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-3-(trifluoromethoxy)pyrrolidine
CID 170343536
4-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]-4-(trifluoromethyl)piperidine
CID 170424249
(3S,5R)-5-methoxy-N,N-dimethyl-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidin-3-amine
CID 170926110
(3S)-3-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine
CID 170926000
(3S)-N,N-dimethyl-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidin-3-amine
CID 170926263

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-fluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidin-3-ol?
The IUPAC name of (3R,4S)-4-fluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidin-3-ol (CID 170926422) is (3R,4S)-4-fluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R,4S)-4-fluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidin-3-ol?
The canonical SMILES for (3R,4S)-4-fluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidin-3-ol is CC(C)OCC1(CN2C[C@@H](O)[C@@H](F)C2)CC1.
What is the InChIKey of (3R,4S)-4-fluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidin-3-ol?
The InChIKey is OFSMHUCNWAESCW-WDEREUQCSA-N. The full InChI is InChI=1S/C12H22FNO2/c1-9(2)16-8-12(3-4-12)7-14-5-10(13)11(15)6-14/h9-11,15H,3-8H2,1-2H3/t10-,11+/m0/s1.
What are the key properties of (3R,4S)-4-fluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidin-3-ol?
(3R,4S)-4-fluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidin-3-ol has a molecular weight of 231.31 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-fluoro-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 170926422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).