(4-bromo-2-fluorophenyl)-tert-butylcarbamic acid

C11H13BrFNO2 — CID 66589257

IUPAC(4-bromo-2-fluorophenyl)-tert-butylcarbamic acid
SMILESCC(C)(C)N(C(=O)O)c1ccc(Br)cc1F
InChIInChI=1S/C11H13BrFNO2/c1-11(2,3)14(10(15)16)9-5-4-7(12)6-8(9)13/h4-6H,1-3H3,(H,15,16)
InChIKeyAPSOTCXXFBYRHT-UHFFFAOYSA-N
MW290.13 g/mol
LogP3.87
Rot. Bonds1

About (4-bromo-2-fluorophenyl)-tert-butylcarbamic acid

(4-bromo-2-fluorophenyl)-tert-butylcarbamic acid (PubChem CID 66589257) has the molecular formula C11H13BrFNO2 and a molecular weight of 290.13 g/mol. Its IUPAC name is (4-bromo-2-fluorophenyl)-tert-butylcarbamic acid.

Molecular Properties

Compound Name(4-bromo-2-fluorophenyl)-tert-butylcarbamic acid
PubChem CID66589257
Molecular FormulaC11H13BrFNO2
Molecular Weight290.13 g/mol
Exact Mass289.01
IUPAC Name(4-bromo-2-fluorophenyl)-tert-butylcarbamic acid
SMILESCC(C)(C)N(C(=O)O)c1ccc(Br)cc1F
InChIInChI=1S/C11H13BrFNO2/c1-11(2,3)14(10(15)16)9-5-4-7(12)6-8(9)13/h4-6H,1-3H3,(H,15,16)
InChIKeyAPSOTCXXFBYRHT-UHFFFAOYSA-N
XLogP3.87
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.13
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-bromo-2-methylphenyl)-tert-butylcarbamic acid
CID 67311856
[4-(5-bromo-2-fluorophenyl)-4-methyl-1,3-thiazin-2-yl]-tert-butylcarbamic acid
CID 118866602
(6-bromo-1,3-benzothiazol-2-yl)-tert-butylcarbamic acid
CID 137368415
1-(4-bromo-2-fluorophenyl)-2,2-difluoropropan-1-one
CID 148880045
tert-butyl-[5-chloro-2-(2,2-dimethylpropanoyl)-3-fluorophenyl]carbamic acid
CID 67316301
3-(4-bromo-2-fluorophenyl)-3-hydroxy-2,2-dimethylpropanoic acid
CID 62398266
tert-butyl-(5-hydroxy-2-methylphenyl)carbamic acid
CID 54066906
tert-butyl-[2-fluoro-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]phenyl]carbamic acid
CID 175105047
4-(4-bromo-2-fluorophenyl)-4-hydroxypentanoic acid
CID 82972821
(2-aminophenyl)-tert-butylcarbamic acid
CID 66632268
2-[(4-bromo-2-fluorophenyl)methyl-ethylamino]-2-methylpropanoic acid
CID 62820301
2-[(4-bromo-2-fluorobenzoyl)-ethylamino]-2-methylpropanoic acid
CID 62817323

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-fluorophenyl)-tert-butylcarbamic acid?
The IUPAC name of (4-bromo-2-fluorophenyl)-tert-butylcarbamic acid (CID 66589257) is (4-bromo-2-fluorophenyl)-tert-butylcarbamic acid.
What is the SMILES notation for (4-bromo-2-fluorophenyl)-tert-butylcarbamic acid?
The canonical SMILES for (4-bromo-2-fluorophenyl)-tert-butylcarbamic acid is CC(C)(C)N(C(=O)O)c1ccc(Br)cc1F.
What is the InChIKey of (4-bromo-2-fluorophenyl)-tert-butylcarbamic acid?
The InChIKey is APSOTCXXFBYRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrFNO2/c1-11(2,3)14(10(15)16)9-5-4-7(12)6-8(9)13/h4-6H,1-3H3,(H,15,16).
What are the key properties of (4-bromo-2-fluorophenyl)-tert-butylcarbamic acid?
(4-bromo-2-fluorophenyl)-tert-butylcarbamic acid has a molecular weight of 290.13 g/mol, XLogP of 3.87, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-fluorophenyl)-tert-butylcarbamic acid is sourced from PubChem (CID 66589257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).