benzene;[4-fluoro-3-(trifluoromethyl)phenyl]carbamic acid

C14H11F4NO2 — CID 174945939

IUPACbenzene;[4-fluoro-3-(trifluoromethyl)phenyl]carbamic acid
SMILESO=C(O)Nc1ccc(F)c(C(F)(F)F)c1.c1ccccc1
InChIInChI=1S/C8H5F4NO2.C6H6/c9-6-2-1-4(13-7(14)15)3-5(6)8(10,11)12;1-2-4-6-5-3-1/h1-3,13H,(H,14,15);1-6H
InChIKeyHOXFHZTWVPWHME-UHFFFAOYSA-N
MW301.24 g/mol
LogP4.62
Rot. Bonds1

About benzene;[4-fluoro-3-(trifluoromethyl)phenyl]carbamic acid

benzene;[4-fluoro-3-(trifluoromethyl)phenyl]carbamic acid (PubChem CID 174945939) has the molecular formula C14H11F4NO2 and a molecular weight of 301.24 g/mol. Its IUPAC name is benzene;[4-fluoro-3-(trifluoromethyl)phenyl]carbamic acid.

Molecular Properties

Compound Namebenzene;[4-fluoro-3-(trifluoromethyl)phenyl]carbamic acid
PubChem CID174945939
Molecular FormulaC14H11F4NO2
Molecular Weight301.24 g/mol
Exact Mass301.07
IUPAC Namebenzene;[4-fluoro-3-(trifluoromethyl)phenyl]carbamic acid
SMILESO=C(O)Nc1ccc(F)c(C(F)(F)F)c1.c1ccccc1
InChIInChI=1S/C8H5F4NO2.C6H6/c9-6-2-1-4(13-7(14)15)3-5(6)8(10,11)12;1-2-4-6-5-3-1/h1-3,13H,(H,14,15);1-6H
InChIKeyHOXFHZTWVPWHME-UHFFFAOYSA-N
XLogP4.62
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.24
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[3,4-bis(trifluoromethyl)phenyl]carbamic acid
CID 91432072
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
CID 52774182
1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylurea
CID 47456942
N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 47081962
methyl 2-[4-fluoro-3-(trifluoromethyl)anilino]-2-oxoacetate
CID 112616812
2-fluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methylbenzamide
CID 60615705
4-fluoro-N-[4-methyl-3-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzamide
CID 118641910
2,5-difluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzamide
CID 28560319
2,6-difluoro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoyl]benzamide
CID 23276641
[4-fluoro-3-(trifluoromethyl)phenyl]carbamodithioic acid
CID 88803293
3-[4-fluoro-3-(trifluoromethyl)anilino]propanoic acid
CID 61228436
N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 30148120

Frequently Asked Questions

What is the IUPAC name of benzene;[4-fluoro-3-(trifluoromethyl)phenyl]carbamic acid?
The IUPAC name of benzene;[4-fluoro-3-(trifluoromethyl)phenyl]carbamic acid (CID 174945939) is benzene;[4-fluoro-3-(trifluoromethyl)phenyl]carbamic acid.
What is the SMILES notation for benzene;[4-fluoro-3-(trifluoromethyl)phenyl]carbamic acid?
The canonical SMILES for benzene;[4-fluoro-3-(trifluoromethyl)phenyl]carbamic acid is O=C(O)Nc1ccc(F)c(C(F)(F)F)c1.c1ccccc1.
What is the InChIKey of benzene;[4-fluoro-3-(trifluoromethyl)phenyl]carbamic acid?
The InChIKey is HOXFHZTWVPWHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F4NO2.C6H6/c9-6-2-1-4(13-7(14)15)3-5(6)8(10,11)12;1-2-4-6-5-3-1/h1-3,13H,(H,14,15);1-6H.
What are the key properties of benzene;[4-fluoro-3-(trifluoromethyl)phenyl]carbamic acid?
benzene;[4-fluoro-3-(trifluoromethyl)phenyl]carbamic acid has a molecular weight of 301.24 g/mol, XLogP of 4.62, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;[4-fluoro-3-(trifluoromethyl)phenyl]carbamic acid is sourced from PubChem (CID 174945939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).