tert-butyl N-[[(1S,2R)-2-(2-fluorophenyl)-1-(hydroxymethyl)cyclopropyl]methyl]carbamate

C16H22FNO3 — CID 178194349

IUPACtert-butyl N-[[(1S,2R)-2-(2-fluorophenyl)-1-(hydroxymethyl)cyclopropyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@]1(CO)C[C@H]1c1ccccc1F
InChIInChI=1S/C16H22FNO3/c1-15(2,3)21-14(20)18-9-16(10-19)8-12(16)11-6-4-5-7-13(11)17/h4-7,12,19H,8-10H2,1-3H3,(H,18,20)/t12-,16-/m0/s1
InChIKeyYUBGZXBXJNGIKY-LRDDRELGSA-N
MW295.35 g/mol
LogP2.82
Rot. Bonds4

About tert-butyl N-[[(1S,2R)-2-(2-fluorophenyl)-1-(hydroxymethyl)cyclopropyl]methyl]carbamate

tert-butyl N-[[(1S,2R)-2-(2-fluorophenyl)-1-(hydroxymethyl)cyclopropyl]methyl]carbamate (PubChem CID 178194349) has the molecular formula C16H22FNO3 and a molecular weight of 295.35 g/mol. Its IUPAC name is tert-butyl N-[[(1S,2R)-2-(2-fluorophenyl)-1-(hydroxymethyl)cyclopropyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[(1S,2R)-2-(2-fluorophenyl)-1-(hydroxymethyl)cyclopropyl]methyl]carbamate
PubChem CID178194349
Molecular FormulaC16H22FNO3
Molecular Weight295.35 g/mol
Exact Mass295.16
IUPAC Nametert-butyl N-[[(1S,2R)-2-(2-fluorophenyl)-1-(hydroxymethyl)cyclopropyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@]1(CO)C[C@H]1c1ccccc1F
InChIInChI=1S/C16H22FNO3/c1-15(2,3)21-14(20)18-9-16(10-19)8-12(16)11-6-4-5-7-13(11)17/h4-7,12,19H,8-10H2,1-3H3,(H,18,20)/t12-,16-/m0/s1
InChIKeyYUBGZXBXJNGIKY-LRDDRELGSA-N
XLogP2.82
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[[(1S,2R)-2-(2-fluorophenyl)-1-(hydroxymethyl)cyclopropyl]methyl]carbamate with MolForge

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tert-butyl N-[4-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]carbamate
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tert-butyl N-[[(3aR,6aS)-2-benzyl-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]methyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(1S,2R)-2-(2-fluorophenyl)-1-(hydroxymethyl)cyclopropyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[(1S,2R)-2-(2-fluorophenyl)-1-(hydroxymethyl)cyclopropyl]methyl]carbamate (CID 178194349) is tert-butyl N-[[(1S,2R)-2-(2-fluorophenyl)-1-(hydroxymethyl)cyclopropyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[(1S,2R)-2-(2-fluorophenyl)-1-(hydroxymethyl)cyclopropyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[(1S,2R)-2-(2-fluorophenyl)-1-(hydroxymethyl)cyclopropyl]methyl]carbamate is CC(C)(C)OC(=O)NC[C@]1(CO)C[C@H]1c1ccccc1F.
What is the InChIKey of tert-butyl N-[[(1S,2R)-2-(2-fluorophenyl)-1-(hydroxymethyl)cyclopropyl]methyl]carbamate?
The InChIKey is YUBGZXBXJNGIKY-LRDDRELGSA-N. The full InChI is InChI=1S/C16H22FNO3/c1-15(2,3)21-14(20)18-9-16(10-19)8-12(16)11-6-4-5-7-13(11)17/h4-7,12,19H,8-10H2,1-3H3,(H,18,20)/t12-,16-/m0/s1.
What are the key properties of tert-butyl N-[[(1S,2R)-2-(2-fluorophenyl)-1-(hydroxymethyl)cyclopropyl]methyl]carbamate?
tert-butyl N-[[(1S,2R)-2-(2-fluorophenyl)-1-(hydroxymethyl)cyclopropyl]methyl]carbamate has a molecular weight of 295.35 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(1S,2R)-2-(2-fluorophenyl)-1-(hydroxymethyl)cyclopropyl]methyl]carbamate is sourced from PubChem (CID 178194349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).