fluoro(1-phenylethyl)carbamic acid

C9H10FNO2 — CID 152621646

IUPACfluoro(1-phenylethyl)carbamic acid
SMILESCC(c1ccccc1)N(F)C(=O)O
InChIInChI=1S/C9H10FNO2/c1-7(11(10)9(12)13)8-5-3-2-4-6-8/h2-7H,1H3,(H,12,13)
InChIKeyZBQMPTYQMLSOSH-UHFFFAOYSA-N
MW183.18 g/mol
LogP2.61
Rot. Bonds2

About fluoro(1-phenylethyl)carbamic acid

fluoro(1-phenylethyl)carbamic acid (PubChem CID 152621646) has the molecular formula C9H10FNO2 and a molecular weight of 183.18 g/mol. Its IUPAC name is fluoro(1-phenylethyl)carbamic acid.

Molecular Properties

Compound Namefluoro(1-phenylethyl)carbamic acid
PubChem CID152621646
Molecular FormulaC9H10FNO2
Molecular Weight183.18 g/mol
Exact Mass183.07
IUPAC Namefluoro(1-phenylethyl)carbamic acid
SMILESCC(c1ccccc1)N(F)C(=O)O
InChIInChI=1S/C9H10FNO2/c1-7(11(10)9(12)13)8-5-3-2-4-6-8/h2-7H,1H3,(H,12,13)
InChIKeyZBQMPTYQMLSOSH-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

methyl(1-phenylethyl)carbamic acid
CID 67062794
N,N-bis[(1R)-1-phenylethyl]acetamide
CID 10706954
N,N-bis[(1R)-1-phenylethyl]prop-2-enamide
CID 12031722
1-phenylethyl(propyl)carbamic acid
CID 57360234
2,2-difluoro-N,N'-dimethyl-N-[(1R)-1-phenylethyl]-N'-[(1S)-1-phenylethyl]propanediamide
CID 7310648
(1R)-1-phenyl-N,N-bis[(1R)-1-phenylethyl]ethanamine;(1S)-1-phenyl-N,N-bis[(1S)-1-phenylethyl]ethanamine
CID 139197887
2-chloroethyl(1-phenylethyl)carbamic acid
CID 57362032
N-hydroxy-N-(1-phenylethyl)benzamide
CID 23260477
(2S)-2-amino-N,N-bis[(1S)-1-phenylethyl]propanamide
CID 101049938
(1S)-N,N-dimethyl-1-phenylethanamine
CID 2724276
1-phenylethyl(prop-2-enyl)carbamic acid
CID 57372880
[carboxy(1-phenylethyl)hydrazinylidene]-iminoazanium
CID 69483709

Frequently Asked Questions

What is the IUPAC name of fluoro(1-phenylethyl)carbamic acid?
The IUPAC name of fluoro(1-phenylethyl)carbamic acid (CID 152621646) is fluoro(1-phenylethyl)carbamic acid.
What is the SMILES notation for fluoro(1-phenylethyl)carbamic acid?
The canonical SMILES for fluoro(1-phenylethyl)carbamic acid is CC(c1ccccc1)N(F)C(=O)O.
What is the InChIKey of fluoro(1-phenylethyl)carbamic acid?
The InChIKey is ZBQMPTYQMLSOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO2/c1-7(11(10)9(12)13)8-5-3-2-4-6-8/h2-7H,1H3,(H,12,13).
What are the key properties of fluoro(1-phenylethyl)carbamic acid?
fluoro(1-phenylethyl)carbamic acid has a molecular weight of 183.18 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro(1-phenylethyl)carbamic acid is sourced from PubChem (CID 152621646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).