(3-fluorophenoxy)-propan-2-ylcarbamic acid

C10H12FNO3 — CID 87543419

IUPAC(3-fluorophenoxy)-propan-2-ylcarbamic acid
SMILESCC(C)N(Oc1cccc(F)c1)C(=O)O
InChIInChI=1S/C10H12FNO3/c1-7(2)12(10(13)14)15-9-5-3-4-8(11)6-9/h3-7H,1-2H3,(H,13,14)
InChIKeyYVYNVRGWPLULHV-UHFFFAOYSA-N
MW213.21 g/mol
LogP2.51
Rot. Bonds3

About (3-fluorophenoxy)-propan-2-ylcarbamic acid

(3-fluorophenoxy)-propan-2-ylcarbamic acid (PubChem CID 87543419) has the molecular formula C10H12FNO3 and a molecular weight of 213.21 g/mol. Its IUPAC name is (3-fluorophenoxy)-propan-2-ylcarbamic acid.

Molecular Properties

Compound Name(3-fluorophenoxy)-propan-2-ylcarbamic acid
PubChem CID87543419
Molecular FormulaC10H12FNO3
Molecular Weight213.21 g/mol
Exact Mass213.08
IUPAC Name(3-fluorophenoxy)-propan-2-ylcarbamic acid
SMILESCC(C)N(Oc1cccc(F)c1)C(=O)O
InChIInChI=1S/C10H12FNO3/c1-7(2)12(10(13)14)15-9-5-3-4-8(11)6-9/h3-7H,1-2H3,(H,13,14)
InChIKeyYVYNVRGWPLULHV-UHFFFAOYSA-N
XLogP2.51
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3-fluorophenoxy)propanoyl chloride
CID 139218096
(3-fluorophenyl)-propan-2-ylcarbamic acid
CID 57350235
2-[2-(3-fluorophenoxy)propanoyl-methylamino]propanoic acid
CID 62626189
4-[[2-(3-fluorophenoxy)acetyl]-propan-2-ylamino]butanoic acid
CID 60827253
2-[2-(3-fluorophenoxy)ethyl-methylamino]propanamide
CID 47286834
dimethyl 2-(3-fluorophenoxy)propanedioate
CID 94688000
2-[3-(3-fluorophenyl)phenoxy]propanoic acid
CID 82044897
1-chloro-3-(3-fluorophenoxy)butan-2-one
CID 82040238
[(2S,3R)-3-(3-fluorophenoxy)butan-2-yl] (2S)-2-aminopropanoate
CID 121466188
2-(3-fluorophenoxy)-3-methoxypropanoic acid
CID 83704060
2-fluoro-5-(3-fluorophenoxy)benzoic acid
CID 170721916
1-(3-fluorophenyl)-3-(3-propan-2-yloxyphenyl)urea
CID 11716200

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenoxy)-propan-2-ylcarbamic acid?
The IUPAC name of (3-fluorophenoxy)-propan-2-ylcarbamic acid (CID 87543419) is (3-fluorophenoxy)-propan-2-ylcarbamic acid.
What is the SMILES notation for (3-fluorophenoxy)-propan-2-ylcarbamic acid?
The canonical SMILES for (3-fluorophenoxy)-propan-2-ylcarbamic acid is CC(C)N(Oc1cccc(F)c1)C(=O)O.
What is the InChIKey of (3-fluorophenoxy)-propan-2-ylcarbamic acid?
The InChIKey is YVYNVRGWPLULHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO3/c1-7(2)12(10(13)14)15-9-5-3-4-8(11)6-9/h3-7H,1-2H3,(H,13,14).
What are the key properties of (3-fluorophenoxy)-propan-2-ylcarbamic acid?
(3-fluorophenoxy)-propan-2-ylcarbamic acid has a molecular weight of 213.21 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenoxy)-propan-2-ylcarbamic acid is sourced from PubChem (CID 87543419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).