2-methyl-4-(1,1,3-trifluoropropan-2-yl)aniline

C10H12F3N — CID 89187948

IUPAC2-methyl-4-(1,1,3-trifluoropropan-2-yl)aniline
SMILESCc1cc(C(CF)C(F)F)ccc1N
InChIInChI=1S/C10H12F3N/c1-6-4-7(2-3-9(6)14)8(5-11)10(12)13/h2-4,8,10H,5,14H2,1H3
InChIKeyQDNRTQSYSNFQPQ-UHFFFAOYSA-N
MW203.21 g/mol
LogP2.90
Rot. Bonds3

About 2-methyl-4-(1,1,3-trifluoropropan-2-yl)aniline

2-methyl-4-(1,1,3-trifluoropropan-2-yl)aniline (PubChem CID 89187948) has the molecular formula C10H12F3N and a molecular weight of 203.21 g/mol. Its IUPAC name is 2-methyl-4-(1,1,3-trifluoropropan-2-yl)aniline.

Molecular Properties

Compound Name2-methyl-4-(1,1,3-trifluoropropan-2-yl)aniline
PubChem CID89187948
Molecular FormulaC10H12F3N
Molecular Weight203.21 g/mol
Exact Mass203.09
IUPAC Name2-methyl-4-(1,1,3-trifluoropropan-2-yl)aniline
SMILESCc1cc(C(CF)C(F)F)ccc1N
InChIInChI=1S/C10H12F3N/c1-6-4-7(2-3-9(6)14)8(5-11)10(12)13/h2-4,8,10H,5,14H2,1H3
InChIKeyQDNRTQSYSNFQPQ-UHFFFAOYSA-N
XLogP2.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(1,1,3-trifluoropropan-2-yl)aniline?
The IUPAC name of 2-methyl-4-(1,1,3-trifluoropropan-2-yl)aniline (CID 89187948) is 2-methyl-4-(1,1,3-trifluoropropan-2-yl)aniline.
What is the SMILES notation for 2-methyl-4-(1,1,3-trifluoropropan-2-yl)aniline?
The canonical SMILES for 2-methyl-4-(1,1,3-trifluoropropan-2-yl)aniline is Cc1cc(C(CF)C(F)F)ccc1N.
What is the InChIKey of 2-methyl-4-(1,1,3-trifluoropropan-2-yl)aniline?
The InChIKey is QDNRTQSYSNFQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N/c1-6-4-7(2-3-9(6)14)8(5-11)10(12)13/h2-4,8,10H,5,14H2,1H3.
What are the key properties of 2-methyl-4-(1,1,3-trifluoropropan-2-yl)aniline?
2-methyl-4-(1,1,3-trifluoropropan-2-yl)aniline has a molecular weight of 203.21 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(1,1,3-trifluoropropan-2-yl)aniline is sourced from PubChem (CID 89187948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).