1-(2-chloro-5-fluoro-4-methylphenyl)-1,1-difluoro-2-methylpropan-2-amine

C11H13ClF3N — CID 116839484

IUPAC1-(2-chloro-5-fluoro-4-methylphenyl)-1,1-difluoro-2-methylpropan-2-amine
SMILESCc1cc(Cl)c(C(F)(F)C(C)(C)N)cc1F
InChIInChI=1S/C11H13ClF3N/c1-6-4-8(12)7(5-9(6)13)11(14,15)10(2,3)16/h4-5H,16H2,1-3H3
InChIKeySPSIPQWWXSMYHZ-UHFFFAOYSA-N
MW251.68 g/mol
LogP3.62
Rot. Bonds2

About 1-(2-chloro-5-fluoro-4-methylphenyl)-1,1-difluoro-2-methylpropan-2-amine

1-(2-chloro-5-fluoro-4-methylphenyl)-1,1-difluoro-2-methylpropan-2-amine (PubChem CID 116839484) has the molecular formula C11H13ClF3N and a molecular weight of 251.68 g/mol. Its IUPAC name is 1-(2-chloro-5-fluoro-4-methylphenyl)-1,1-difluoro-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-5-fluoro-4-methylphenyl)-1,1-difluoro-2-methylpropan-2-amine
PubChem CID116839484
Molecular FormulaC11H13ClF3N
Molecular Weight251.68 g/mol
Exact Mass251.07
IUPAC Name1-(2-chloro-5-fluoro-4-methylphenyl)-1,1-difluoro-2-methylpropan-2-amine
SMILESCc1cc(Cl)c(C(F)(F)C(C)(C)N)cc1F
InChIInChI=1S/C11H13ClF3N/c1-6-4-8(12)7(5-9(6)13)11(14,15)10(2,3)16/h4-5H,16H2,1-3H3
InChIKeySPSIPQWWXSMYHZ-UHFFFAOYSA-N
XLogP3.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.68
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-2-(1,1-difluoroethyl)-4-fluoro-5-methylbenzene
CID 116841620
2-(2-chloro-5-fluoro-4-methylphenyl)-2,2-difluoroethanamine
CID 116838633
2-(2-chloro-5-fluoro-4-methylphenyl)-N-methylpropan-2-amine
CID 116963016
2-(2-chloro-5-fluoro-4-methylphenyl)-2-methylpropanehydrazide
CID 116844099
1-(2,4-dimethylphenyl)-1,1-difluoro-2-methylpropan-2-amine
CID 116839374
1-chloro-2,4-difluoro-5-methylbenzene
CID 58691509
1,1-difluoro-2-methyl-1-(2,4,6-trimethylphenyl)propan-2-amine
CID 116839389
1-(2,4-difluorophenyl)-1,1-difluoro-2-methylpropan-2-amine
CID 116839410
1,4-difluoro-2-methyl-5-(trifluoromethyl)benzene
CID 51000124
1-(2-chloro-5-fluoro-4-methylphenyl)-2-hydroxy-2-methylpropan-1-one
CID 116920451
1-(4-bromo-2-methylbutan-2-yl)-2-chloro-4-fluoro-5-methylbenzene
CID 81050769
(2R)-2-amino-2-(2-chloro-4,5-difluorophenyl)propan-1-ol
CID 130690627

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-5-fluoro-4-methylphenyl)-1,1-difluoro-2-methylpropan-2-amine?
The IUPAC name of 1-(2-chloro-5-fluoro-4-methylphenyl)-1,1-difluoro-2-methylpropan-2-amine (CID 116839484) is 1-(2-chloro-5-fluoro-4-methylphenyl)-1,1-difluoro-2-methylpropan-2-amine.
What is the SMILES notation for 1-(2-chloro-5-fluoro-4-methylphenyl)-1,1-difluoro-2-methylpropan-2-amine?
The canonical SMILES for 1-(2-chloro-5-fluoro-4-methylphenyl)-1,1-difluoro-2-methylpropan-2-amine is Cc1cc(Cl)c(C(F)(F)C(C)(C)N)cc1F.
What is the InChIKey of 1-(2-chloro-5-fluoro-4-methylphenyl)-1,1-difluoro-2-methylpropan-2-amine?
The InChIKey is SPSIPQWWXSMYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3N/c1-6-4-8(12)7(5-9(6)13)11(14,15)10(2,3)16/h4-5H,16H2,1-3H3.
What are the key properties of 1-(2-chloro-5-fluoro-4-methylphenyl)-1,1-difluoro-2-methylpropan-2-amine?
1-(2-chloro-5-fluoro-4-methylphenyl)-1,1-difluoro-2-methylpropan-2-amine has a molecular weight of 251.68 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-fluoro-4-methylphenyl)-1,1-difluoro-2-methylpropan-2-amine is sourced from PubChem (CID 116839484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).