[1-(3-chloro-2-fluorophenyl)-3-hydroxypropyl]carbamic acid

C10H11ClFNO3 — CID 71254846

IUPAC[1-(3-chloro-2-fluorophenyl)-3-hydroxypropyl]carbamic acid
SMILESO=C(O)NC(CCO)c1cccc(Cl)c1F
InChIInChI=1S/C10H11ClFNO3/c11-7-3-1-2-6(9(7)12)8(4-5-14)13-10(15)16/h1-3,8,13-14H,4-5H2,(H,15,16)
InChIKeyAIPPVDPBNHWTHY-UHFFFAOYSA-N
MW247.65 g/mol
LogP2.17
Rot. Bonds4

About [1-(3-chloro-2-fluorophenyl)-3-hydroxypropyl]carbamic acid

[1-(3-chloro-2-fluorophenyl)-3-hydroxypropyl]carbamic acid (PubChem CID 71254846) has the molecular formula C10H11ClFNO3 and a molecular weight of 247.65 g/mol. Its IUPAC name is [1-(3-chloro-2-fluorophenyl)-3-hydroxypropyl]carbamic acid.

Molecular Properties

Compound Name[1-(3-chloro-2-fluorophenyl)-3-hydroxypropyl]carbamic acid
PubChem CID71254846
Molecular FormulaC10H11ClFNO3
Molecular Weight247.65 g/mol
Exact Mass247.04
IUPAC Name[1-(3-chloro-2-fluorophenyl)-3-hydroxypropyl]carbamic acid
SMILESO=C(O)NC(CCO)c1cccc(Cl)c1F
InChIInChI=1S/C10H11ClFNO3/c11-7-3-1-2-6(9(7)12)8(4-5-14)13-10(15)16/h1-3,8,13-14H,4-5H2,(H,15,16)
InChIKeyAIPPVDPBNHWTHY-UHFFFAOYSA-N
XLogP2.17
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.65
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-2-fluorophenyl)-3-hydroxypropyl]carbamic acid?
The IUPAC name of [1-(3-chloro-2-fluorophenyl)-3-hydroxypropyl]carbamic acid (CID 71254846) is [1-(3-chloro-2-fluorophenyl)-3-hydroxypropyl]carbamic acid.
What is the SMILES notation for [1-(3-chloro-2-fluorophenyl)-3-hydroxypropyl]carbamic acid?
The canonical SMILES for [1-(3-chloro-2-fluorophenyl)-3-hydroxypropyl]carbamic acid is O=C(O)NC(CCO)c1cccc(Cl)c1F.
What is the InChIKey of [1-(3-chloro-2-fluorophenyl)-3-hydroxypropyl]carbamic acid?
The InChIKey is AIPPVDPBNHWTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO3/c11-7-3-1-2-6(9(7)12)8(4-5-14)13-10(15)16/h1-3,8,13-14H,4-5H2,(H,15,16).
What are the key properties of [1-(3-chloro-2-fluorophenyl)-3-hydroxypropyl]carbamic acid?
[1-(3-chloro-2-fluorophenyl)-3-hydroxypropyl]carbamic acid has a molecular weight of 247.65 g/mol, XLogP of 2.17, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-2-fluorophenyl)-3-hydroxypropyl]carbamic acid is sourced from PubChem (CID 71254846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).