(2,4-difluorophenyl) N-(3-hydroxypropyl)carbamate

C10H11F2NO3 — CID 116819702

IUPAC(2,4-difluorophenyl) N-(3-hydroxypropyl)carbamate
SMILESO=C(NCCCO)Oc1ccc(F)cc1F
InChIInChI=1S/C10H11F2NO3/c11-7-2-3-9(8(12)6-7)16-10(15)13-4-1-5-14/h2-3,6,14H,1,4-5H2,(H,13,15)
InChIKeyOJKXWKZOVKEXGR-UHFFFAOYSA-N
MW231.20 g/mol
LogP1.44
Rot. Bonds4

About (2,4-difluorophenyl) N-(3-hydroxypropyl)carbamate

(2,4-difluorophenyl) N-(3-hydroxypropyl)carbamate (PubChem CID 116819702) has the molecular formula C10H11F2NO3 and a molecular weight of 231.20 g/mol. Its IUPAC name is (2,4-difluorophenyl) N-(3-hydroxypropyl)carbamate.

Molecular Properties

Compound Name(2,4-difluorophenyl) N-(3-hydroxypropyl)carbamate
PubChem CID116819702
Molecular FormulaC10H11F2NO3
Molecular Weight231.20 g/mol
Exact Mass231.07
IUPAC Name(2,4-difluorophenyl) N-(3-hydroxypropyl)carbamate
SMILESO=C(NCCCO)Oc1ccc(F)cc1F
InChIInChI=1S/C10H11F2NO3/c11-7-2-3-9(8(12)6-7)16-10(15)13-4-1-5-14/h2-3,6,14H,1,4-5H2,(H,13,15)
InChIKeyOJKXWKZOVKEXGR-UHFFFAOYSA-N
XLogP1.44
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.20
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(2,4-difluorophenoxy)carbonylamino]propanoic acid
CID 82294566
2-(2,4-difluorophenoxy)-N-(5-hydroxypentyl)acetamide
CID 107318520
(2,4-difluorophenyl) propanoate
CID 18525986
(2,5-difluorophenyl) N-ethylcarbamate
CID 127549988
(3,4-dimethylphenyl) N-(3-hydroxypropyl)carbamate
CID 116819687
1-[2-(2,5-difluorophenyl)ethyl]-3-(3-hydroxypropyl)urea
CID 71981439
2-amino-N-[3-(2,4-difluorophenoxy)propyl]propanamide
CID 112509123
1-O-(2,4-difluorophenyl) 3-O-ethyl 2-ethylpropanedioate
CID 170923141
1-(2,4-difluorophenyl)-3-(5-hydroxypentyl)urea
CID 107302722
1-(2,4-difluorophenyl)-3-(6-hydroxyhexyl)urea
CID 103918695
(3,4-dichlorophenyl) N-(3-hydroxypropyl)carbamate
CID 116819713
(2,4-difluorophenyl) 2-(benzylamino)-2-oxoacetate
CID 58981575

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl) N-(3-hydroxypropyl)carbamate?
The IUPAC name of (2,4-difluorophenyl) N-(3-hydroxypropyl)carbamate (CID 116819702) is (2,4-difluorophenyl) N-(3-hydroxypropyl)carbamate.
What is the SMILES notation for (2,4-difluorophenyl) N-(3-hydroxypropyl)carbamate?
The canonical SMILES for (2,4-difluorophenyl) N-(3-hydroxypropyl)carbamate is O=C(NCCCO)Oc1ccc(F)cc1F.
What is the InChIKey of (2,4-difluorophenyl) N-(3-hydroxypropyl)carbamate?
The InChIKey is OJKXWKZOVKEXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO3/c11-7-2-3-9(8(12)6-7)16-10(15)13-4-1-5-14/h2-3,6,14H,1,4-5H2,(H,13,15).
What are the key properties of (2,4-difluorophenyl) N-(3-hydroxypropyl)carbamate?
(2,4-difluorophenyl) N-(3-hydroxypropyl)carbamate has a molecular weight of 231.20 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl) N-(3-hydroxypropyl)carbamate is sourced from PubChem (CID 116819702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).