[(3R,4S,5R)-4-fluoro-5-methyloxolan-3-yl] N-(1-methylcyclopropyl)carbamate

C10H16FNO3 — CID 170110864

IUPAC[(3R,4S,5R)-4-fluoro-5-methyloxolan-3-yl] N-(1-methylcyclopropyl)carbamate
SMILESC[C@H]1OC[C@@H](OC(=O)NC2(C)CC2)[C@H]1F
InChIInChI=1S/C10H16FNO3/c1-6-8(11)7(5-14-6)15-9(13)12-10(2)3-4-10/h6-8H,3-5H2,1-2H3,(H,12,13)/t6-,7-,8+/m1/s1
InChIKeyRXVFCQAUMHYUKB-PRJMDXOYSA-N
MW217.24 g/mol
LogP1.39
Rot. Bonds2

About [(3R,4S,5R)-4-fluoro-5-methyloxolan-3-yl] N-(1-methylcyclopropyl)carbamate

[(3R,4S,5R)-4-fluoro-5-methyloxolan-3-yl] N-(1-methylcyclopropyl)carbamate (PubChem CID 170110864) has the molecular formula C10H16FNO3 and a molecular weight of 217.24 g/mol. Its IUPAC name is [(3R,4S,5R)-4-fluoro-5-methyloxolan-3-yl] N-(1-methylcyclopropyl)carbamate.

Molecular Properties

Compound Name[(3R,4S,5R)-4-fluoro-5-methyloxolan-3-yl] N-(1-methylcyclopropyl)carbamate
PubChem CID170110864
Molecular FormulaC10H16FNO3
Molecular Weight217.24 g/mol
Exact Mass217.11
IUPAC Name[(3R,4S,5R)-4-fluoro-5-methyloxolan-3-yl] N-(1-methylcyclopropyl)carbamate
SMILESC[C@H]1OC[C@@H](OC(=O)NC2(C)CC2)[C@H]1F
InChIInChI=1S/C10H16FNO3/c1-6-8(11)7(5-14-6)15-9(13)12-10(2)3-4-10/h6-8H,3-5H2,1-2H3,(H,12,13)/t6-,7-,8+/m1/s1
InChIKeyRXVFCQAUMHYUKB-PRJMDXOYSA-N
XLogP1.39
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.24
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3R,4S,5R)-4-fluoro-5-methyloxolan-3-yl] N-(1-methylcyclopropyl)carbamate?
The IUPAC name of [(3R,4S,5R)-4-fluoro-5-methyloxolan-3-yl] N-(1-methylcyclopropyl)carbamate (CID 170110864) is [(3R,4S,5R)-4-fluoro-5-methyloxolan-3-yl] N-(1-methylcyclopropyl)carbamate.
What is the SMILES notation for [(3R,4S,5R)-4-fluoro-5-methyloxolan-3-yl] N-(1-methylcyclopropyl)carbamate?
The canonical SMILES for [(3R,4S,5R)-4-fluoro-5-methyloxolan-3-yl] N-(1-methylcyclopropyl)carbamate is C[C@H]1OC[C@@H](OC(=O)NC2(C)CC2)[C@H]1F.
What is the InChIKey of [(3R,4S,5R)-4-fluoro-5-methyloxolan-3-yl] N-(1-methylcyclopropyl)carbamate?
The InChIKey is RXVFCQAUMHYUKB-PRJMDXOYSA-N. The full InChI is InChI=1S/C10H16FNO3/c1-6-8(11)7(5-14-6)15-9(13)12-10(2)3-4-10/h6-8H,3-5H2,1-2H3,(H,12,13)/t6-,7-,8+/m1/s1.
What are the key properties of [(3R,4S,5R)-4-fluoro-5-methyloxolan-3-yl] N-(1-methylcyclopropyl)carbamate?
[(3R,4S,5R)-4-fluoro-5-methyloxolan-3-yl] N-(1-methylcyclopropyl)carbamate has a molecular weight of 217.24 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S,5R)-4-fluoro-5-methyloxolan-3-yl] N-(1-methylcyclopropyl)carbamate is sourced from PubChem (CID 170110864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).