(3-fluorophenyl)carbamic acid;hydrochloride

C7H7ClFNO2 — CID 70589934

IUPAC(3-fluorophenyl)carbamic acid;hydrochloride
SMILESCl.O=C(O)Nc1cccc(F)c1
InChIInChI=1S/C7H6FNO2.ClH/c8-5-2-1-3-6(4-5)9-7(10)11;/h1-4,9H,(H,10,11);1H
InChIKeyVKLYCFWCOITPGJ-UHFFFAOYSA-N
MW191.59 g/mol
LogP2.34
Rot. Bonds1

About (3-fluorophenyl)carbamic acid;hydrochloride

(3-fluorophenyl)carbamic acid;hydrochloride (PubChem CID 70589934) has the molecular formula C7H7ClFNO2 and a molecular weight of 191.59 g/mol. Its IUPAC name is (3-fluorophenyl)carbamic acid;hydrochloride.

Molecular Properties

Compound Name(3-fluorophenyl)carbamic acid;hydrochloride
PubChem CID70589934
Molecular FormulaC7H7ClFNO2
Molecular Weight191.59 g/mol
Exact Mass191.01
IUPAC Name(3-fluorophenyl)carbamic acid;hydrochloride
SMILESCl.O=C(O)Nc1cccc(F)c1
InChIInChI=1S/C7H6FNO2.ClH/c8-5-2-1-3-6(4-5)9-7(10)11;/h1-4,9H,(H,10,11);1H
InChIKeyVKLYCFWCOITPGJ-UHFFFAOYSA-N
XLogP2.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.59
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-fluorophenyl)carbamoyl iodide
CID 143189904
N'-(2,6-dimethylphenyl)-N-(3-fluorophenyl)oxamide
CID 108531930
2,3,5,6-tetrafluoro-1-N,4-N-bis(3-fluorophenyl)benzene-1,4-dicarboxamide
CID 3094065
2-chloro-N-(3-fluorophenyl)acetamide
CID 2388931
N'-(2-ethyl-6-methylphenyl)-N-(3-fluorophenyl)propanediamide
CID 108954227
N'-(2,6-difluorophenyl)-N-(3-fluorophenyl)oxamide
CID 108522116
N'-(3-bromophenyl)-N-(3-fluorophenyl)oxamide
CID 108529598
[3-(methylamino)phenyl]carbamic acid
CID 66771222
(2R)-N-(3-fluorophenyl)-2-phenylpropanamide
CID 97038180
N-(3-fluorophenyl)-2-phenylpropanamide
CID 70678315
4-N-(3-fluorophenyl)-1-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109049444
4,5-difluoro-N-(3-fluorophenyl)-2-methylbenzamide
CID 686471

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)carbamic acid;hydrochloride?
The IUPAC name of (3-fluorophenyl)carbamic acid;hydrochloride (CID 70589934) is (3-fluorophenyl)carbamic acid;hydrochloride.
What is the SMILES notation for (3-fluorophenyl)carbamic acid;hydrochloride?
The canonical SMILES for (3-fluorophenyl)carbamic acid;hydrochloride is Cl.O=C(O)Nc1cccc(F)c1.
What is the InChIKey of (3-fluorophenyl)carbamic acid;hydrochloride?
The InChIKey is VKLYCFWCOITPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FNO2.ClH/c8-5-2-1-3-6(4-5)9-7(10)11;/h1-4,9H,(H,10,11);1H.
What are the key properties of (3-fluorophenyl)carbamic acid;hydrochloride?
(3-fluorophenyl)carbamic acid;hydrochloride has a molecular weight of 191.59 g/mol, XLogP of 2.34, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)carbamic acid;hydrochloride is sourced from PubChem (CID 70589934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).