3-(4-fluorophenoxy)propyl carbamate

C10H12FNO3 — CID 154235028

IUPAC3-(4-fluorophenoxy)propyl carbamate
SMILESNC(=O)OCCCOc1ccc(F)cc1
InChIInChI=1S/C10H12FNO3/c11-8-2-4-9(5-3-8)14-6-1-7-15-10(12)13/h2-5H,1,6-7H2,(H2,12,13)
InChIKeyVSCZUMRLUFGYTF-UHFFFAOYSA-N
MW213.21 g/mol
LogP1.69
Rot. Bonds5

About 3-(4-fluorophenoxy)propyl carbamate

3-(4-fluorophenoxy)propyl carbamate (PubChem CID 154235028) has the molecular formula C10H12FNO3 and a molecular weight of 213.21 g/mol. Its IUPAC name is 3-(4-fluorophenoxy)propyl carbamate.

Molecular Properties

Compound Name3-(4-fluorophenoxy)propyl carbamate
PubChem CID154235028
Molecular FormulaC10H12FNO3
Molecular Weight213.21 g/mol
Exact Mass213.08
IUPAC Name3-(4-fluorophenoxy)propyl carbamate
SMILESNC(=O)OCCCOc1ccc(F)cc1
InChIInChI=1S/C10H12FNO3/c11-8-2-4-9(5-3-8)14-6-1-7-15-10(12)13/h2-5H,1,6-7H2,(H2,12,13)
InChIKeyVSCZUMRLUFGYTF-UHFFFAOYSA-N
XLogP1.69
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-fluorophenoxy)butanamide
CID 43244704
5-(4-fluorophenoxy)-2-oxopentanoic acid
CID 57302572
3-(3,4-diaminophenoxy)propyl carbamate
CID 138618165
4-(4-fluorophenoxy)butanethioamide
CID 24702572
3-(4-fluorophenoxy)propyl 1H-pyrazole-5-carboxylate
CID 46459521
3-[4-[(4-fluorophenyl)methyl]phenoxy]propyl 3-(methylamino)propanoate
CID 67648869
6-(4-fluorophenoxy)hexan-2-one
CID 43793627
9-(4-fluorophenoxy)nonanoic acid
CID 66875133
N-(2-amino-2-oxoethyl)-4-(4-fluorophenoxy)butanamide
CID 60724760
3-(4-fluorophenoxy)propyl 2-benzamidoacetate
CID 7889609
3-(4-fluorophenoxy)propyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 55309408
3-(4-fluorophenoxy)propyl 3,5-diacetamidobenzoate
CID 31431476

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenoxy)propyl carbamate?
The IUPAC name of 3-(4-fluorophenoxy)propyl carbamate (CID 154235028) is 3-(4-fluorophenoxy)propyl carbamate.
What is the SMILES notation for 3-(4-fluorophenoxy)propyl carbamate?
The canonical SMILES for 3-(4-fluorophenoxy)propyl carbamate is NC(=O)OCCCOc1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenoxy)propyl carbamate?
The InChIKey is VSCZUMRLUFGYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO3/c11-8-2-4-9(5-3-8)14-6-1-7-15-10(12)13/h2-5H,1,6-7H2,(H2,12,13).
What are the key properties of 3-(4-fluorophenoxy)propyl carbamate?
3-(4-fluorophenoxy)propyl carbamate has a molecular weight of 213.21 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenoxy)propyl carbamate is sourced from PubChem (CID 154235028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).