(2-fluoro-1-phenylpropyl)-methylcarbamic acid

C11H14FNO2 — CID 57373616

IUPAC(2-fluoro-1-phenylpropyl)-methylcarbamic acid
SMILESCC(F)C(c1ccccc1)N(C)C(=O)O
InChIInChI=1S/C11H14FNO2/c1-8(12)10(13(2)11(14)15)9-6-4-3-5-7-9/h3-8,10H,1-2H3,(H,14,15)
InChIKeyUHZPRUKTLFMNAI-UHFFFAOYSA-N
MW211.24 g/mol
LogP2.70
Rot. Bonds3

About (2-fluoro-1-phenylpropyl)-methylcarbamic acid

(2-fluoro-1-phenylpropyl)-methylcarbamic acid (PubChem CID 57373616) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is (2-fluoro-1-phenylpropyl)-methylcarbamic acid.

Molecular Properties

Compound Name(2-fluoro-1-phenylpropyl)-methylcarbamic acid
PubChem CID57373616
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name(2-fluoro-1-phenylpropyl)-methylcarbamic acid
SMILESCC(F)C(c1ccccc1)N(C)C(=O)O
InChIInChI=1S/C11H14FNO2/c1-8(12)10(13(2)11(14)15)9-6-4-3-5-7-9/h3-8,10H,1-2H3,(H,14,15)
InChIKeyUHZPRUKTLFMNAI-UHFFFAOYSA-N
XLogP2.70
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

methyl(1-phenylethyl)carbamic acid
CID 67062794
2,2-difluoro-N,N'-dimethyl-N-[(1R)-1-phenylethyl]-N'-[(1S)-1-phenylethyl]propanediamide
CID 7310648
(2-amino-1-phenylpropyl)-carbamoylcarbamic acid
CID 175172899
fluoro(1-phenylethyl)carbamic acid
CID 152621646
[(2S)-1-[benzhydryl(methyl)amino]propan-2-yl]-methylcarbamic acid
CID 68805705
N-[(1S,2R)-1-(dimethylamino)-1-phenylpropan-2-yl]benzamide
CID 51696070
2-methyl-2-[methyl-(2-methyl-1-phenylpropyl)amino]propanoic acid
CID 65061275
N,N,N',N'-tetrafluoro-1,2-diphenylethane-1,2-diamine
CID 23261782
benzene;methyl(propan-2-yl)carbamic acid
CID 174351923
3-fluorobutan-2-ylbenzene
CID 159211068
1-(dimethylamino)-2-methyl-1-phenylpentan-3-one;hydrochloride
CID 172694063
N,N-dimethyl-2,2-diphenylacetamide
CID 19693860

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-1-phenylpropyl)-methylcarbamic acid?
The IUPAC name of (2-fluoro-1-phenylpropyl)-methylcarbamic acid (CID 57373616) is (2-fluoro-1-phenylpropyl)-methylcarbamic acid.
What is the SMILES notation for (2-fluoro-1-phenylpropyl)-methylcarbamic acid?
The canonical SMILES for (2-fluoro-1-phenylpropyl)-methylcarbamic acid is CC(F)C(c1ccccc1)N(C)C(=O)O.
What is the InChIKey of (2-fluoro-1-phenylpropyl)-methylcarbamic acid?
The InChIKey is UHZPRUKTLFMNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-8(12)10(13(2)11(14)15)9-6-4-3-5-7-9/h3-8,10H,1-2H3,(H,14,15).
What are the key properties of (2-fluoro-1-phenylpropyl)-methylcarbamic acid?
(2-fluoro-1-phenylpropyl)-methylcarbamic acid has a molecular weight of 211.24 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-1-phenylpropyl)-methylcarbamic acid is sourced from PubChem (CID 57373616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).