1-[(2R)-3-methylbutan-2-yl]-4-(trifluoromethyl)benzene

C12H15F3 — CID 70880900

IUPAC1-[(2R)-3-methylbutan-2-yl]-4-(trifluoromethyl)benzene
SMILESCC(C)[C@@H](C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H15F3/c1-8(2)9(3)10-4-6-11(7-5-10)12(13,14)15/h4-9H,1-3H3/t9-/m1/s1
InChIKeyDQTPJUOTVHEZHH-SECBINFHSA-N
MW216.25 g/mol
LogP4.46
Rot. Bonds2

About 1-[(2R)-3-methylbutan-2-yl]-4-(trifluoromethyl)benzene

1-[(2R)-3-methylbutan-2-yl]-4-(trifluoromethyl)benzene (PubChem CID 70880900) has the molecular formula C12H15F3 and a molecular weight of 216.25 g/mol. Its IUPAC name is 1-[(2R)-3-methylbutan-2-yl]-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[(2R)-3-methylbutan-2-yl]-4-(trifluoromethyl)benzene
PubChem CID70880900
Molecular FormulaC12H15F3
Molecular Weight216.25 g/mol
Exact Mass216.11
IUPAC Name1-[(2R)-3-methylbutan-2-yl]-4-(trifluoromethyl)benzene
SMILESCC(C)[C@@H](C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H15F3/c1-8(2)9(3)10-4-6-11(7-5-10)12(13,14)15/h4-9H,1-3H3/t9-/m1/s1
InChIKeyDQTPJUOTVHEZHH-SECBINFHSA-N
XLogP4.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.25
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[(2S)-3,3-dimethylbutan-2-yl]-4-(trifluoromethyl)benzene
CID 134170918
1-[(2S,3S)-3-methylpentan-2-yl]-4-(trifluoromethyl)benzene
CID 162611871
(1S)-2-methyl-1-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 71134587
4-[4-(trifluoromethyl)phenyl]pent-1-yn-3-ol
CID 122575514
1-[(1S)-1-methoxyethyl]-4-(trifluoromethyl)benzene
CID 71379545
1-[(2R)-1-bromopropan-2-yl]-4-(trifluoromethyl)benzene
CID 97006533
1-(2,5-dimethylhexan-3-yl)-4-(trifluoromethyl)benzene
CID 144748476
1-[bis(4-tert-butylphenyl)methyl]-4-(trifluoromethyl)benzene
CID 155096011
O-[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 11805842
methyl 2-amino-3-[4-(trifluoromethyl)phenyl]butanoate
CID 90894430
1-(1-methoxy-3-methylbutan-2-yl)-4-(trifluoromethyl)benzene
CID 177016674
(1S,2R)-1-amino-1-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 129373286

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-3-methylbutan-2-yl]-4-(trifluoromethyl)benzene?
The IUPAC name of 1-[(2R)-3-methylbutan-2-yl]-4-(trifluoromethyl)benzene (CID 70880900) is 1-[(2R)-3-methylbutan-2-yl]-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[(2R)-3-methylbutan-2-yl]-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-[(2R)-3-methylbutan-2-yl]-4-(trifluoromethyl)benzene is CC(C)[C@@H](C)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[(2R)-3-methylbutan-2-yl]-4-(trifluoromethyl)benzene?
The InChIKey is DQTPJUOTVHEZHH-SECBINFHSA-N. The full InChI is InChI=1S/C12H15F3/c1-8(2)9(3)10-4-6-11(7-5-10)12(13,14)15/h4-9H,1-3H3/t9-/m1/s1.
What are the key properties of 1-[(2R)-3-methylbutan-2-yl]-4-(trifluoromethyl)benzene?
1-[(2R)-3-methylbutan-2-yl]-4-(trifluoromethyl)benzene has a molecular weight of 216.25 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-3-methylbutan-2-yl]-4-(trifluoromethyl)benzene is sourced from PubChem (CID 70880900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).