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

C10H11ClFNO3 — CID 71254848

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

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

[3-(3-chloro-2-fluorophenyl)-3-hydroxypropyl]carbamic acid (PubChem CID 71254848) has the molecular formula C10H11ClFNO3 and a molecular weight of 247.65 g/mol. Its IUPAC name is [3-(3-chloro-2-fluorophenyl)-3-hydroxypropyl]carbamic acid.

Molecular Properties

Compound Name[3-(3-chloro-2-fluorophenyl)-3-hydroxypropyl]carbamic acid
PubChem CID71254848
Molecular FormulaC10H11ClFNO3
Molecular Weight247.65 g/mol
Exact Mass247.04
IUPAC Name[3-(3-chloro-2-fluorophenyl)-3-hydroxypropyl]carbamic acid
SMILESO=C(O)NCCC(O)c1cccc(Cl)c1F
InChIInChI=1S/C10H11ClFNO3/c11-7-3-1-2-6(9(7)12)8(14)4-5-13-10(15)16/h1-3,8,13-14H,4-5H2,(H,15,16)
InChIKeyHBYSXCFIWVROMK-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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Related Compounds

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CID 81262700
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CID 114488545
1-(3-chloro-2-fluorophenyl)-2-(propylamino)ethanol
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1-(3-chloro-2-fluorophenyl)-2-(ethylamino)ethanol
CID 114488974
3-(3-chloro-2-fluorophenyl)-3-hydroxypropanenitrile
CID 114489174
1-(3-chloro-2-fluorophenyl)-2-(2,6-difluorophenyl)ethanol
CID 81263148
2-amino-2-(3-chloro-2-fluorophenyl)acetic acid;hydrochloride
CID 175479963
1-(3-chloro-2-fluorophenyl)-2-(4-ethylphenyl)ethanol
CID 64712768
1-(3-chloro-2-fluorophenyl)-2-(3-chlorophenyl)ethanol
CID 64712924
[3-hydroxy-3-(3-hydroxyphenyl)propyl]carbamic acid
CID 67296637
diethyl 2-(3-chloro-2-fluorophenyl)propanedioate
CID 86045257
(3S)-3-acetamido-3-(3-chloro-2-fluorophenyl)propanoic acid
CID 104930292

Frequently Asked Questions

What is the IUPAC name of [3-(3-chloro-2-fluorophenyl)-3-hydroxypropyl]carbamic acid?
The IUPAC name of [3-(3-chloro-2-fluorophenyl)-3-hydroxypropyl]carbamic acid (CID 71254848) is [3-(3-chloro-2-fluorophenyl)-3-hydroxypropyl]carbamic acid.
What is the SMILES notation for [3-(3-chloro-2-fluorophenyl)-3-hydroxypropyl]carbamic acid?
The canonical SMILES for [3-(3-chloro-2-fluorophenyl)-3-hydroxypropyl]carbamic acid is O=C(O)NCCC(O)c1cccc(Cl)c1F.
What is the InChIKey of [3-(3-chloro-2-fluorophenyl)-3-hydroxypropyl]carbamic acid?
The InChIKey is HBYSXCFIWVROMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO3/c11-7-3-1-2-6(9(7)12)8(14)4-5-13-10(15)16/h1-3,8,13-14H,4-5H2,(H,15,16).
What are the key properties of [3-(3-chloro-2-fluorophenyl)-3-hydroxypropyl]carbamic acid?
[3-(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 [3-(3-chloro-2-fluorophenyl)-3-hydroxypropyl]carbamic acid is sourced from PubChem (CID 71254848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).