2-[3-fluoro-4-(4-fluorophenyl)phenyl]propan-2-yl carbamate

C16H15F2NO2 — CID 135384943

IUPAC2-[3-fluoro-4-(4-fluorophenyl)phenyl]propan-2-yl carbamate
SMILESCC(C)(OC(N)=O)c1ccc(-c2ccc(F)cc2)c(F)c1
InChIInChI=1S/C16H15F2NO2/c1-16(2,21-15(19)20)11-5-8-13(14(18)9-11)10-3-6-12(17)7-4-10/h3-9H,1-2H3,(H2,19,20)
InChIKeyBUJUQXJJRAZDGU-UHFFFAOYSA-N
MW291.30 g/mol
LogP3.96
Rot. Bonds3

About 2-[3-fluoro-4-(4-fluorophenyl)phenyl]propan-2-yl carbamate

2-[3-fluoro-4-(4-fluorophenyl)phenyl]propan-2-yl carbamate (PubChem CID 135384943) has the molecular formula C16H15F2NO2 and a molecular weight of 291.30 g/mol. Its IUPAC name is 2-[3-fluoro-4-(4-fluorophenyl)phenyl]propan-2-yl carbamate.

Molecular Properties

Compound Name2-[3-fluoro-4-(4-fluorophenyl)phenyl]propan-2-yl carbamate
PubChem CID135384943
Molecular FormulaC16H15F2NO2
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name2-[3-fluoro-4-(4-fluorophenyl)phenyl]propan-2-yl carbamate
SMILESCC(C)(OC(N)=O)c1ccc(-c2ccc(F)cc2)c(F)c1
InChIInChI=1S/C16H15F2NO2/c1-16(2,21-15(19)20)11-5-8-13(14(18)9-11)10-3-6-12(17)7-4-10/h3-9H,1-2H3,(H2,19,20)
InChIKeyBUJUQXJJRAZDGU-UHFFFAOYSA-N
XLogP3.96
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-2-[3-fluoro-4-(4-fluorophenyl)phenyl]acetamide
CID 52936718
[(1S)-1-(4-fluorophenyl)-1-hydroxybutyl] carbamate
CID 175517049
2-[4-fluoro-3-(4-fluorophenyl)phenyl]propan-2-ylcarbamic acid
CID 121483232
ethyl 2-(3-fluoro-4-phenylphenyl)-2-hydroxypropanoate
CID 13423264
2-(4-tert-butylphenyl)-5-fluorobenzoic acid
CID 16768740
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CID 129314568
2-fluoro-1-(4-fluorophenyl)-4-methoxybenzene
CID 46312221
2-[3-fluoro-4-(3-fluorophenyl)phenyl]-2-methylpropanoic acid
CID 101345988
1-[5-(2,4-difluorophenyl)-2-hydroxyphenyl]-2,2-dimethylpropan-1-one
CID 58554662
4-(2-fluoro-4-methoxycarbonylphenyl)benzoic acid
CID 53218416
4-acetyloxy-2-(3-fluoro-4-phenylphenyl)-2-methylbutanoic acid
CID 70500964
(2S)-3-[4-(2,4-difluorophenyl)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 172915570

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-(4-fluorophenyl)phenyl]propan-2-yl carbamate?
The IUPAC name of 2-[3-fluoro-4-(4-fluorophenyl)phenyl]propan-2-yl carbamate (CID 135384943) is 2-[3-fluoro-4-(4-fluorophenyl)phenyl]propan-2-yl carbamate.
What is the SMILES notation for 2-[3-fluoro-4-(4-fluorophenyl)phenyl]propan-2-yl carbamate?
The canonical SMILES for 2-[3-fluoro-4-(4-fluorophenyl)phenyl]propan-2-yl carbamate is CC(C)(OC(N)=O)c1ccc(-c2ccc(F)cc2)c(F)c1.
What is the InChIKey of 2-[3-fluoro-4-(4-fluorophenyl)phenyl]propan-2-yl carbamate?
The InChIKey is BUJUQXJJRAZDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2NO2/c1-16(2,21-15(19)20)11-5-8-13(14(18)9-11)10-3-6-12(17)7-4-10/h3-9H,1-2H3,(H2,19,20).
What are the key properties of 2-[3-fluoro-4-(4-fluorophenyl)phenyl]propan-2-yl carbamate?
2-[3-fluoro-4-(4-fluorophenyl)phenyl]propan-2-yl carbamate has a molecular weight of 291.30 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-(4-fluorophenyl)phenyl]propan-2-yl carbamate is sourced from PubChem (CID 135384943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).