1-(3-fluorophenyl)ethyl carbamate

C9H10FNO2 — CID 174605012

IUPAC1-(3-fluorophenyl)ethyl carbamate
SMILESCC(OC(N)=O)c1cccc(F)c1
InChIInChI=1S/C9H10FNO2/c1-6(13-9(11)12)7-3-2-4-8(10)5-7/h2-6H,1H3,(H2,11,12)
InChIKeySJOALMIMCZTRHW-UHFFFAOYSA-N
MW183.18 g/mol
LogP1.98
Rot. Bonds2

About 1-(3-fluorophenyl)ethyl carbamate

1-(3-fluorophenyl)ethyl carbamate (PubChem CID 174605012) has the molecular formula C9H10FNO2 and a molecular weight of 183.18 g/mol. Its IUPAC name is 1-(3-fluorophenyl)ethyl carbamate.

Molecular Properties

Compound Name1-(3-fluorophenyl)ethyl carbamate
PubChem CID174605012
Molecular FormulaC9H10FNO2
Molecular Weight183.18 g/mol
Exact Mass183.07
IUPAC Name1-(3-fluorophenyl)ethyl carbamate
SMILESCC(OC(N)=O)c1cccc(F)c1
InChIInChI=1S/C9H10FNO2/c1-6(13-9(11)12)7-3-2-4-8(10)5-7/h2-6H,1H3,(H2,11,12)
InChIKeySJOALMIMCZTRHW-UHFFFAOYSA-N
XLogP1.98
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)ethyl carbamate
CID 121415275
bromo 2-(3-fluorophenyl)propanoate
CID 174735540
[2,2,2-trifluoro-1-(3-fluorophenyl)ethyl] 2-methylpropanoate
CID 121016179
1-amino-1-(3-fluorophenyl)propan-2-one
CID 55295099
2-[1-(3-fluorophenyl)ethylamino]propanamide
CID 43400981
[(1R)-1-[3-[(1R)-1-acetyloxyethyl]phenyl]ethyl] acetate
CID 11776874
2-chloro-2-(3-fluorophenyl)acetamide
CID 62225850
[bromo-(3-fluorophenyl)methyl] acetate
CID 174595381
methyl 2-aminooxy-2-(3-fluorophenyl)acetate
CID 105451939
1,3-difluorobenzene;1-[2-methoxy-4-(methylamino)phenyl]ethyl carbamate
CID 175279240
fluoro 2-fluoro-2-(3-fluorophenyl)acetate
CID 174649887
ethyl 2-(3-fluorophenyl)-2-isocyanoacetate
CID 140839198

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)ethyl carbamate?
The IUPAC name of 1-(3-fluorophenyl)ethyl carbamate (CID 174605012) is 1-(3-fluorophenyl)ethyl carbamate.
What is the SMILES notation for 1-(3-fluorophenyl)ethyl carbamate?
The canonical SMILES for 1-(3-fluorophenyl)ethyl carbamate is CC(OC(N)=O)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)ethyl carbamate?
The InChIKey is SJOALMIMCZTRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO2/c1-6(13-9(11)12)7-3-2-4-8(10)5-7/h2-6H,1H3,(H2,11,12).
What are the key properties of 1-(3-fluorophenyl)ethyl carbamate?
1-(3-fluorophenyl)ethyl carbamate has a molecular weight of 183.18 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)ethyl carbamate is sourced from PubChem (CID 174605012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).