(2-fluorophenyl)methyl-methylcarbamic acid

C9H10FNO2 — CID 115171049

IUPAC(2-fluorophenyl)methyl-methylcarbamic acid
SMILESCN(Cc1ccccc1F)C(=O)O
InChIInChI=1S/C9H10FNO2/c1-11(9(12)13)6-7-4-2-3-5-8(7)10/h2-5H,6H2,1H3,(H,12,13)
InChIKeyIYHRRDMIUMQQIR-UHFFFAOYSA-N
MW183.18 g/mol
LogP1.94
Rot. Bonds2

About (2-fluorophenyl)methyl-methylcarbamic acid

(2-fluorophenyl)methyl-methylcarbamic acid (PubChem CID 115171049) has the molecular formula C9H10FNO2 and a molecular weight of 183.18 g/mol. Its IUPAC name is (2-fluorophenyl)methyl-methylcarbamic acid.

Molecular Properties

Compound Name(2-fluorophenyl)methyl-methylcarbamic acid
PubChem CID115171049
Molecular FormulaC9H10FNO2
Molecular Weight183.18 g/mol
Exact Mass183.07
IUPAC Name(2-fluorophenyl)methyl-methylcarbamic acid
SMILESCN(Cc1ccccc1F)C(=O)O
InChIInChI=1S/C9H10FNO2/c1-11(9(12)13)6-7-4-2-3-5-8(7)10/h2-5H,6H2,1H3,(H,12,13)
InChIKeyIYHRRDMIUMQQIR-UHFFFAOYSA-N
XLogP1.94
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 60628244
N-[(2-fluorophenyl)methyl]-N-methylcarbamoyl chloride
CID 79886378
(Z)-4-[(2-fluorophenyl)methyl-methylamino]-2-hydroxy-4-oxobut-2-enoic acid
CID 54689315
2-[carboxymethyl-[(2-fluorophenyl)methyl-methylcarbamoyl]amino]acetic acid
CID 63645119
N-[(2-fluorophenyl)methyl]-N-methyl-2,2-diphenylacetamide
CID 4803955
2-bromo-6-fluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 115678174
2-[[(2-fluorophenyl)methyl-methylcarbamoyl]-methylamino]propanoic acid
CID 62638125
2-[4-[[(2-fluorophenyl)methyl-methylamino]methyl]phenyl]acetic acid
CID 105345750
1-[(2-fluorophenyl)methyl]-1-methyl-3-propan-2-ylurea
CID 115575226
3,5-difluoro-N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 78769060
(2S)-2-[[(2-fluorophenyl)methyl-methylcarbamoyl]amino]propanoic acid
CID 78971015
(2-fluorophenyl)methyl-phenylcarbamic acid
CID 68974867

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)methyl-methylcarbamic acid?
The IUPAC name of (2-fluorophenyl)methyl-methylcarbamic acid (CID 115171049) is (2-fluorophenyl)methyl-methylcarbamic acid.
What is the SMILES notation for (2-fluorophenyl)methyl-methylcarbamic acid?
The canonical SMILES for (2-fluorophenyl)methyl-methylcarbamic acid is CN(Cc1ccccc1F)C(=O)O.
What is the InChIKey of (2-fluorophenyl)methyl-methylcarbamic acid?
The InChIKey is IYHRRDMIUMQQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO2/c1-11(9(12)13)6-7-4-2-3-5-8(7)10/h2-5H,6H2,1H3,(H,12,13).
What are the key properties of (2-fluorophenyl)methyl-methylcarbamic acid?
(2-fluorophenyl)methyl-methylcarbamic acid has a molecular weight of 183.18 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)methyl-methylcarbamic acid is sourced from PubChem (CID 115171049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).