[(2R)-2-(4-bromophenyl)-1,1,1-trifluoropropan-2-yl]carbamic acid

C10H9BrF3NO2 — CID 161189926

IUPAC[(2R)-2-(4-bromophenyl)-1,1,1-trifluoropropan-2-yl]carbamic acid
SMILESC[C@@](NC(=O)O)(c1ccc(Br)cc1)C(F)(F)F
InChIInChI=1S/C10H9BrF3NO2/c1-9(10(12,13)14,15-8(16)17)6-2-4-7(11)5-3-6/h2-5,15H,1H3,(H,16,17)/t9-/m1/s1
InChIKeyMOKHCCIJOXRRPY-SECBINFHSA-N
MW312.09 g/mol
LogP3.49
Rot. Bonds2

About [(2R)-2-(4-bromophenyl)-1,1,1-trifluoropropan-2-yl]carbamic acid

[(2R)-2-(4-bromophenyl)-1,1,1-trifluoropropan-2-yl]carbamic acid (PubChem CID 161189926) has the molecular formula C10H9BrF3NO2 and a molecular weight of 312.09 g/mol. Its IUPAC name is [(2R)-2-(4-bromophenyl)-1,1,1-trifluoropropan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2R)-2-(4-bromophenyl)-1,1,1-trifluoropropan-2-yl]carbamic acid
PubChem CID161189926
Molecular FormulaC10H9BrF3NO2
Molecular Weight312.09 g/mol
Exact Mass310.98
IUPAC Name[(2R)-2-(4-bromophenyl)-1,1,1-trifluoropropan-2-yl]carbamic acid
SMILESC[C@@](NC(=O)O)(c1ccc(Br)cc1)C(F)(F)F
InChIInChI=1S/C10H9BrF3NO2/c1-9(10(12,13)14,15-8(16)17)6-2-4-7(11)5-3-6/h2-5,15H,1H3,(H,16,17)/t9-/m1/s1
InChIKeyMOKHCCIJOXRRPY-SECBINFHSA-N
XLogP3.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.09
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(4-bromophenyl)propan-2-yl]-2,2,3,3-tetrafluoropropanamide
CID 103732827
N-[2-(4-bromophenyl)propan-2-yl]-2,2-difluoroacetamide
CID 103515044
N-[2-(4-bromophenyl)propan-2-yl]-2,2-dimethylpropanamide
CID 64593022
4-bromo-N-(2-phenylpropan-2-yl)benzamide
CID 47444769
2-(4-bromophenyl)propan-2-yl N-tert-butylcarbamate
CID 174613985
4-acetyl-N-(1,1,1-trifluoro-2-phenylpropan-2-yl)piperazine-1-carboxamide
CID 138053774
2-[(4-bromophenyl)methylamino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79791391
ethyl 3-(4-bromophenyl)-3-fluorobutanoate
CID 146012954
2-(3-bromophenyl)propan-2-ylcarbamic acid
CID 68549708
2-(4-bromophenyl)-N-tert-butylacetamide
CID 3273942
6-[2-(4-bromophenyl)propan-2-ylamino]-6-oxohexanoic acid
CID 60941635
4-bromo-N-[2-(4-bromophenyl)propan-2-yl]-2-fluorobenzamide
CID 63524757

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(4-bromophenyl)-1,1,1-trifluoropropan-2-yl]carbamic acid?
The IUPAC name of [(2R)-2-(4-bromophenyl)-1,1,1-trifluoropropan-2-yl]carbamic acid (CID 161189926) is [(2R)-2-(4-bromophenyl)-1,1,1-trifluoropropan-2-yl]carbamic acid.
What is the SMILES notation for [(2R)-2-(4-bromophenyl)-1,1,1-trifluoropropan-2-yl]carbamic acid?
The canonical SMILES for [(2R)-2-(4-bromophenyl)-1,1,1-trifluoropropan-2-yl]carbamic acid is C[C@@](NC(=O)O)(c1ccc(Br)cc1)C(F)(F)F.
What is the InChIKey of [(2R)-2-(4-bromophenyl)-1,1,1-trifluoropropan-2-yl]carbamic acid?
The InChIKey is MOKHCCIJOXRRPY-SECBINFHSA-N. The full InChI is InChI=1S/C10H9BrF3NO2/c1-9(10(12,13)14,15-8(16)17)6-2-4-7(11)5-3-6/h2-5,15H,1H3,(H,16,17)/t9-/m1/s1.
What are the key properties of [(2R)-2-(4-bromophenyl)-1,1,1-trifluoropropan-2-yl]carbamic acid?
[(2R)-2-(4-bromophenyl)-1,1,1-trifluoropropan-2-yl]carbamic acid has a molecular weight of 312.09 g/mol, XLogP of 3.49, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(4-bromophenyl)-1,1,1-trifluoropropan-2-yl]carbamic acid is sourced from PubChem (CID 161189926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).