[2-(4-fluoro-3-methylphenyl)-2-methylpropyl]carbamic acid

C12H16FNO2 — CID 115171370

IUPAC[2-(4-fluoro-3-methylphenyl)-2-methylpropyl]carbamic acid
SMILESCc1cc(C(C)(C)CNC(=O)O)ccc1F
InChIInChI=1S/C12H16FNO2/c1-8-6-9(4-5-10(8)13)12(2,3)7-14-11(15)16/h4-6,14H,7H2,1-3H3,(H,15,16)
InChIKeyJIGFYCSQBNKTOT-UHFFFAOYSA-N
MW225.26 g/mol
LogP2.68
Rot. Bonds3

About [2-(4-fluoro-3-methylphenyl)-2-methylpropyl]carbamic acid

[2-(4-fluoro-3-methylphenyl)-2-methylpropyl]carbamic acid (PubChem CID 115171370) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is [2-(4-fluoro-3-methylphenyl)-2-methylpropyl]carbamic acid.

Molecular Properties

Compound Name[2-(4-fluoro-3-methylphenyl)-2-methylpropyl]carbamic acid
PubChem CID115171370
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name[2-(4-fluoro-3-methylphenyl)-2-methylpropyl]carbamic acid
SMILESCc1cc(C(C)(C)CNC(=O)O)ccc1F
InChIInChI=1S/C12H16FNO2/c1-8-6-9(4-5-10(8)13)12(2,3)7-14-11(15)16/h4-6,14H,7H2,1-3H3,(H,15,16)
InChIKeyJIGFYCSQBNKTOT-UHFFFAOYSA-N
XLogP2.68
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyano-N-[2-(4-fluoro-3-methylphenyl)-2-methylpropyl]formamide
CID 115172758
methyl 2-[[2-(4-fluoro-3-methylphenyl)-2-methylpropyl]amino]-2-oxoacetate
CID 115142662
[2-(4-ethoxy-3-fluorophenyl)-2-methylpropyl]carbamic acid
CID 115171411
methyl 2-[[2-(4-fluoro-3-methylphenyl)-2-methylpropyl]amino]acetate
CID 115233215
N-[2-(3,4-difluorophenyl)-2-methylpropyl]-2-oxopropanamide
CID 115176125
3-(4-fluoro-3-methylphenyl)-3-methylpentanedioic acid
CID 82131952
N-[2-(3,4-difluorophenyl)-2-methylpropyl]-2-hydroxypropanamide
CID 115141139
[2-methyl-2-(4-propan-2-ylphenyl)propyl]carbamic acid
CID 115171362
N'-[2-(4-fluoro-3-methylphenyl)-2-methylpropyl]-N-methylethane-1,2-diamine
CID 115196149
2-[[2-(4-fluoro-3-methylphenyl)-2-methylpropyl]amino]ethanethiol
CID 115224465
2-amino-2-(4-fluoro-3-methylphenyl)propanoic acid;hydrochloride
CID 82129155
[2-methyl-2-(2,4,6-trimethylphenyl)propyl]carbamic acid
CID 115171394

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluoro-3-methylphenyl)-2-methylpropyl]carbamic acid?
The IUPAC name of [2-(4-fluoro-3-methylphenyl)-2-methylpropyl]carbamic acid (CID 115171370) is [2-(4-fluoro-3-methylphenyl)-2-methylpropyl]carbamic acid.
What is the SMILES notation for [2-(4-fluoro-3-methylphenyl)-2-methylpropyl]carbamic acid?
The canonical SMILES for [2-(4-fluoro-3-methylphenyl)-2-methylpropyl]carbamic acid is Cc1cc(C(C)(C)CNC(=O)O)ccc1F.
What is the InChIKey of [2-(4-fluoro-3-methylphenyl)-2-methylpropyl]carbamic acid?
The InChIKey is JIGFYCSQBNKTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-8-6-9(4-5-10(8)13)12(2,3)7-14-11(15)16/h4-6,14H,7H2,1-3H3,(H,15,16).
What are the key properties of [2-(4-fluoro-3-methylphenyl)-2-methylpropyl]carbamic acid?
[2-(4-fluoro-3-methylphenyl)-2-methylpropyl]carbamic acid has a molecular weight of 225.26 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluoro-3-methylphenyl)-2-methylpropyl]carbamic acid is sourced from PubChem (CID 115171370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).