methyl N-(1-fluoro-5-hydroxypentan-2-yl)carbamate

C7H14FNO3 — CID 14512868

IUPACmethyl N-(1-fluoro-5-hydroxypentan-2-yl)carbamate
SMILESCOC(=O)NC(CF)CCCO
InChIInChI=1S/C7H14FNO3/c1-12-7(11)9-6(5-8)3-2-4-10/h6,10H,2-5H2,1H3,(H,9,11)
InChIKeyWKEYGEGSUZPGKA-UHFFFAOYSA-N
MW179.19 g/mol
LogP0.45
Rot. Bonds5

About methyl N-(1-fluoro-5-hydroxypentan-2-yl)carbamate

methyl N-(1-fluoro-5-hydroxypentan-2-yl)carbamate (PubChem CID 14512868) has the molecular formula C7H14FNO3 and a molecular weight of 179.19 g/mol. Its IUPAC name is methyl N-(1-fluoro-5-hydroxypentan-2-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(1-fluoro-5-hydroxypentan-2-yl)carbamate
PubChem CID14512868
Molecular FormulaC7H14FNO3
Molecular Weight179.19 g/mol
Exact Mass179.10
IUPAC Namemethyl N-(1-fluoro-5-hydroxypentan-2-yl)carbamate
SMILESCOC(=O)NC(CF)CCCO
InChIInChI=1S/C7H14FNO3/c1-12-7(11)9-6(5-8)3-2-4-10/h6,10H,2-5H2,1H3,(H,9,11)
InChIKeyWKEYGEGSUZPGKA-UHFFFAOYSA-N
XLogP0.45
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl N-(1-fluoro-5-hydroxypentan-2-yl)carbamate?
The IUPAC name of methyl N-(1-fluoro-5-hydroxypentan-2-yl)carbamate (CID 14512868) is methyl N-(1-fluoro-5-hydroxypentan-2-yl)carbamate.
What is the SMILES notation for methyl N-(1-fluoro-5-hydroxypentan-2-yl)carbamate?
The canonical SMILES for methyl N-(1-fluoro-5-hydroxypentan-2-yl)carbamate is COC(=O)NC(CF)CCCO.
What is the InChIKey of methyl N-(1-fluoro-5-hydroxypentan-2-yl)carbamate?
The InChIKey is WKEYGEGSUZPGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO3/c1-12-7(11)9-6(5-8)3-2-4-10/h6,10H,2-5H2,1H3,(H,9,11).
What are the key properties of methyl N-(1-fluoro-5-hydroxypentan-2-yl)carbamate?
methyl N-(1-fluoro-5-hydroxypentan-2-yl)carbamate has a molecular weight of 179.19 g/mol, XLogP of 0.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(1-fluoro-5-hydroxypentan-2-yl)carbamate is sourced from PubChem (CID 14512868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).