1-(3,4-difluorophenyl)sulfinyl-N,3,3-trimethylbutan-2-amine

C13H19F2NOS — CID 64652845

IUPAC1-(3,4-difluorophenyl)sulfinyl-N,3,3-trimethylbutan-2-amine
SMILESCNC(CS(=O)c1ccc(F)c(F)c1)C(C)(C)C
InChIInChI=1S/C13H19F2NOS/c1-13(2,3)12(16-4)8-18(17)9-5-6-10(14)11(15)7-9/h5-7,12,16H,8H2,1-4H3
InChIKeyINYKJQDZNGVHMS-UHFFFAOYSA-N
MW275.36 g/mol
LogP2.71
Rot. Bonds4

About 1-(3,4-difluorophenyl)sulfinyl-N,3,3-trimethylbutan-2-amine

1-(3,4-difluorophenyl)sulfinyl-N,3,3-trimethylbutan-2-amine (PubChem CID 64652845) has the molecular formula C13H19F2NOS and a molecular weight of 275.36 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)sulfinyl-N,3,3-trimethylbutan-2-amine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)sulfinyl-N,3,3-trimethylbutan-2-amine
PubChem CID64652845
Molecular FormulaC13H19F2NOS
Molecular Weight275.36 g/mol
Exact Mass275.12
IUPAC Name1-(3,4-difluorophenyl)sulfinyl-N,3,3-trimethylbutan-2-amine
SMILESCNC(CS(=O)c1ccc(F)c(F)c1)C(C)(C)C
InChIInChI=1S/C13H19F2NOS/c1-13(2,3)12(16-4)8-18(17)9-5-6-10(14)11(15)7-9/h5-7,12,16H,8H2,1-4H3
InChIKeyINYKJQDZNGVHMS-UHFFFAOYSA-N
XLogP2.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-difluorophenyl)sulfinyl-3,3-dimethyl-N-propylbutan-2-amine
CID 64650987
1-(4-chlorophenyl)sulfinyl-N-ethyl-3,3-dimethylbutan-2-amine
CID 64658251
4-(3,4-difluorophenyl)sulfinyl-3-(propylamino)butan-1-ol
CID 64897808
1-(3-chlorophenyl)sulfinyl-N-ethyl-3,3-dimethylbutan-2-amine
CID 64658378
5-(3,4-difluorophenyl)sulfinylpentan-1-amine
CID 81328253
6-(3,4-difluorophenyl)sulfinyl-2,2-dimethylhexan-1-amine
CID 106714797
1-(3-chloro-4-fluorophenyl)sulfinyl-3-(2-methylpropylamino)propan-2-ol
CID 115477533
N-ethyl-1-(4-methoxyphenyl)sulfinyl-3,3-dimethylbutan-2-amine
CID 64659694
2-chloro-4-(2,2-diethoxyethylsulfinyl)-1-fluorobenzene
CID 115477393
1-(3,4-difluorophenyl)sulfinylpentan-2-one
CID 64638301
4-(2,2-difluoroethylsulfinyl)-2-fluoroaniline
CID 81190420
N,3,3-trimethyl-1-[(3-methylphenyl)methylsulfinyl]butan-2-amine
CID 64659770

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)sulfinyl-N,3,3-trimethylbutan-2-amine?
The IUPAC name of 1-(3,4-difluorophenyl)sulfinyl-N,3,3-trimethylbutan-2-amine (CID 64652845) is 1-(3,4-difluorophenyl)sulfinyl-N,3,3-trimethylbutan-2-amine.
What is the SMILES notation for 1-(3,4-difluorophenyl)sulfinyl-N,3,3-trimethylbutan-2-amine?
The canonical SMILES for 1-(3,4-difluorophenyl)sulfinyl-N,3,3-trimethylbutan-2-amine is CNC(CS(=O)c1ccc(F)c(F)c1)C(C)(C)C.
What is the InChIKey of 1-(3,4-difluorophenyl)sulfinyl-N,3,3-trimethylbutan-2-amine?
The InChIKey is INYKJQDZNGVHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NOS/c1-13(2,3)12(16-4)8-18(17)9-5-6-10(14)11(15)7-9/h5-7,12,16H,8H2,1-4H3.
What are the key properties of 1-(3,4-difluorophenyl)sulfinyl-N,3,3-trimethylbutan-2-amine?
1-(3,4-difluorophenyl)sulfinyl-N,3,3-trimethylbutan-2-amine has a molecular weight of 275.36 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)sulfinyl-N,3,3-trimethylbutan-2-amine is sourced from PubChem (CID 64652845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).