tert-butyl N-[(2R,4S)-4-fluoro-5-hydroxypentan-2-yl]carbamate

C10H20FNO3 — CID 172915809

IUPACtert-butyl N-[(2R,4S)-4-fluoro-5-hydroxypentan-2-yl]carbamate
SMILESC[C@H](C[C@H](F)CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H20FNO3/c1-7(5-8(11)6-13)12-9(14)15-10(2,3)4/h7-8,13H,5-6H2,1-4H3,(H,12,14)/t7-,8+/m1/s1
InChIKeyICVVUHQYAKVNPB-SFYZADRCSA-N
MW221.27 g/mol
LogP1.62
Rot. Bonds4

About tert-butyl N-[(2R,4S)-4-fluoro-5-hydroxypentan-2-yl]carbamate

tert-butyl N-[(2R,4S)-4-fluoro-5-hydroxypentan-2-yl]carbamate (PubChem CID 172915809) has the molecular formula C10H20FNO3 and a molecular weight of 221.27 g/mol. Its IUPAC name is tert-butyl N-[(2R,4S)-4-fluoro-5-hydroxypentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R,4S)-4-fluoro-5-hydroxypentan-2-yl]carbamate
PubChem CID172915809
Molecular FormulaC10H20FNO3
Molecular Weight221.27 g/mol
Exact Mass221.14
IUPAC Nametert-butyl N-[(2R,4S)-4-fluoro-5-hydroxypentan-2-yl]carbamate
SMILESC[C@H](C[C@H](F)CO)NC(=O)OC(C)(C)C
InChIInChI=1S/C10H20FNO3/c1-7(5-8(11)6-13)12-9(14)15-10(2,3)4/h7-8,13H,5-6H2,1-4H3,(H,12,14)/t7-,8+/m1/s1
InChIKeyICVVUHQYAKVNPB-SFYZADRCSA-N
XLogP1.62
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 58879226
tert-butyl N-(5-aminohexan-2-yl)carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R,4S)-4-fluoro-5-hydroxypentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R,4S)-4-fluoro-5-hydroxypentan-2-yl]carbamate (CID 172915809) is tert-butyl N-[(2R,4S)-4-fluoro-5-hydroxypentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R,4S)-4-fluoro-5-hydroxypentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R,4S)-4-fluoro-5-hydroxypentan-2-yl]carbamate is C[C@H](C[C@H](F)CO)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2R,4S)-4-fluoro-5-hydroxypentan-2-yl]carbamate?
The InChIKey is ICVVUHQYAKVNPB-SFYZADRCSA-N. The full InChI is InChI=1S/C10H20FNO3/c1-7(5-8(11)6-13)12-9(14)15-10(2,3)4/h7-8,13H,5-6H2,1-4H3,(H,12,14)/t7-,8+/m1/s1.
What are the key properties of tert-butyl N-[(2R,4S)-4-fluoro-5-hydroxypentan-2-yl]carbamate?
tert-butyl N-[(2R,4S)-4-fluoro-5-hydroxypentan-2-yl]carbamate has a molecular weight of 221.27 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R,4S)-4-fluoro-5-hydroxypentan-2-yl]carbamate is sourced from PubChem (CID 172915809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).