1-[(2R)-1-bromopropan-2-yl]-4-(trifluoromethyl)benzene

C10H10BrF3 — CID 97006533

IUPAC1-[(2R)-1-bromopropan-2-yl]-4-(trifluoromethyl)benzene
SMILESC[C@@H](CBr)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H10BrF3/c1-7(6-11)8-2-4-9(5-3-8)10(12,13)14/h2-5,7H,6H2,1H3/t7-/m0/s1
InChIKeyNROLRFXPGKTGNQ-ZETCQYMHSA-N
MW267.09 g/mol
LogP4.20
Rot. Bonds2

About 1-[(2R)-1-bromopropan-2-yl]-4-(trifluoromethyl)benzene

1-[(2R)-1-bromopropan-2-yl]-4-(trifluoromethyl)benzene (PubChem CID 97006533) has the molecular formula C10H10BrF3 and a molecular weight of 267.09 g/mol. Its IUPAC name is 1-[(2R)-1-bromopropan-2-yl]-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[(2R)-1-bromopropan-2-yl]-4-(trifluoromethyl)benzene
PubChem CID97006533
Molecular FormulaC10H10BrF3
Molecular Weight267.09 g/mol
Exact Mass265.99
IUPAC Name1-[(2R)-1-bromopropan-2-yl]-4-(trifluoromethyl)benzene
SMILESC[C@@H](CBr)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H10BrF3/c1-7(6-11)8-2-4-9(5-3-8)10(12,13)14/h2-5,7H,6H2,1H3/t7-/m0/s1
InChIKeyNROLRFXPGKTGNQ-ZETCQYMHSA-N
XLogP4.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.09
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-[4-(trifluoromethyl)phenyl]butanenitrile
CID 124509787
1-heptan-2-yl-4-(trifluoromethyl)benzene
CID 167049973
1-[(2R)-3-methylbutan-2-yl]-4-(trifluoromethyl)benzene
CID 70880900
2-[2-[4-(trifluoromethyl)phenyl]propyl]-2,3-dihydro-1H-imidazole
CID 177016254
1-(trifluoromethyl)-4-[1-[4-(trifluoromethyl)phenyl]propyl]benzene
CID 89021612
1-[(2S)-3,3-dimethylbutan-2-yl]-4-(trifluoromethyl)benzene
CID 134170918
1-[(2S,3S)-3-methylpentan-2-yl]-4-(trifluoromethyl)benzene
CID 162611871
1-propan-2-yl-3-(trifluoromethyl)-5-[(2S)-2-[4-(trifluoromethyl)phenyl]propyl]benzene
CID 130220413
1-oct-7-en-2-yl-4-(trifluoromethyl)benzene
CID 134981740
1-[(1S)-1-methoxyethyl]-4-(trifluoromethyl)benzene
CID 71379545
(1S)-2-methyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 71134587
1-(2,5-dimethylhexan-3-yl)-4-(trifluoromethyl)benzene
CID 144748476

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-bromopropan-2-yl]-4-(trifluoromethyl)benzene?
The IUPAC name of 1-[(2R)-1-bromopropan-2-yl]-4-(trifluoromethyl)benzene (CID 97006533) is 1-[(2R)-1-bromopropan-2-yl]-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[(2R)-1-bromopropan-2-yl]-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-[(2R)-1-bromopropan-2-yl]-4-(trifluoromethyl)benzene is C[C@@H](CBr)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[(2R)-1-bromopropan-2-yl]-4-(trifluoromethyl)benzene?
The InChIKey is NROLRFXPGKTGNQ-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H10BrF3/c1-7(6-11)8-2-4-9(5-3-8)10(12,13)14/h2-5,7H,6H2,1H3/t7-/m0/s1.
What are the key properties of 1-[(2R)-1-bromopropan-2-yl]-4-(trifluoromethyl)benzene?
1-[(2R)-1-bromopropan-2-yl]-4-(trifluoromethyl)benzene has a molecular weight of 267.09 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-bromopropan-2-yl]-4-(trifluoromethyl)benzene is sourced from PubChem (CID 97006533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).