1,1-difluoro-1-(4-propan-2-ylsulfanylphenyl)propan-2-amine

C12H17F2NS — CID 116839309

IUPAC1,1-difluoro-1-(4-propan-2-ylsulfanylphenyl)propan-2-amine
SMILESCC(C)Sc1ccc(C(F)(F)C(C)N)cc1
InChIInChI=1S/C12H17F2NS/c1-8(2)16-11-6-4-10(5-7-11)12(13,14)9(3)15/h4-9H,15H2,1-3H3
InChIKeyFVMIUCGPCYCODA-UHFFFAOYSA-N
MW245.34 g/mol
LogP3.63
Rot. Bonds4

About 1,1-difluoro-1-(4-propan-2-ylsulfanylphenyl)propan-2-amine

1,1-difluoro-1-(4-propan-2-ylsulfanylphenyl)propan-2-amine (PubChem CID 116839309) has the molecular formula C12H17F2NS and a molecular weight of 245.34 g/mol. Its IUPAC name is 1,1-difluoro-1-(4-propan-2-ylsulfanylphenyl)propan-2-amine.

Molecular Properties

Compound Name1,1-difluoro-1-(4-propan-2-ylsulfanylphenyl)propan-2-amine
PubChem CID116839309
Molecular FormulaC12H17F2NS
Molecular Weight245.34 g/mol
Exact Mass245.10
IUPAC Name1,1-difluoro-1-(4-propan-2-ylsulfanylphenyl)propan-2-amine
SMILESCC(C)Sc1ccc(C(F)(F)C(C)N)cc1
InChIInChI=1S/C12H17F2NS/c1-8(2)16-11-6-4-10(5-7-11)12(13,14)9(3)15/h4-9H,15H2,1-3H3
InChIKeyFVMIUCGPCYCODA-UHFFFAOYSA-N
XLogP3.63
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.34
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-difluoro-1-(4-propan-2-ylphenyl)propan-2-amine
CID 116839228
1-[cyclopropyl(difluoro)methyl]-4-propan-2-ylsulfanylbenzene
CID 116841718
2-(4-propan-2-ylsulfanylphenyl)propan-2-ol
CID 84677942
4-propan-2-ylsulfanyl-2-(trifluoromethyl)aniline
CID 20531429
(1S)-1-(4-propan-2-ylsulfanylphenyl)propan-1-amine
CID 95422491
1-(1,1-difluoro-2-methylpropyl)-4-ethylsulfanylbenzene
CID 116841447
N-(hydrazinylmethyl)-2-methyl-2-(4-propan-2-ylsulfanylphenyl)propan-1-amine
CID 115261466
2-fluoro-2-(4-propan-2-ylsulfanylphenyl)ethanamine
CID 105425831
4-propan-2-ylsulfanylaniline;2,3,3-trimethylbutan-2-ol
CID 176999975
2-chloro-1-(4-propan-2-ylsulfanylphenyl)ethanamine
CID 116937585
1,1-difluoro-1-(3-fluorophenyl)propan-2-amine
CID 83855474
1-(3-bromophenyl)-1,1-difluoropropan-2-amine
CID 91926944

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-1-(4-propan-2-ylsulfanylphenyl)propan-2-amine?
The IUPAC name of 1,1-difluoro-1-(4-propan-2-ylsulfanylphenyl)propan-2-amine (CID 116839309) is 1,1-difluoro-1-(4-propan-2-ylsulfanylphenyl)propan-2-amine.
What is the SMILES notation for 1,1-difluoro-1-(4-propan-2-ylsulfanylphenyl)propan-2-amine?
The canonical SMILES for 1,1-difluoro-1-(4-propan-2-ylsulfanylphenyl)propan-2-amine is CC(C)Sc1ccc(C(F)(F)C(C)N)cc1.
What is the InChIKey of 1,1-difluoro-1-(4-propan-2-ylsulfanylphenyl)propan-2-amine?
The InChIKey is FVMIUCGPCYCODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NS/c1-8(2)16-11-6-4-10(5-7-11)12(13,14)9(3)15/h4-9H,15H2,1-3H3.
What are the key properties of 1,1-difluoro-1-(4-propan-2-ylsulfanylphenyl)propan-2-amine?
1,1-difluoro-1-(4-propan-2-ylsulfanylphenyl)propan-2-amine has a molecular weight of 245.34 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-1-(4-propan-2-ylsulfanylphenyl)propan-2-amine is sourced from PubChem (CID 116839309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).