N-(1,1-difluoropropan-2-yl)-2-methylsulfanylaniline

C10H13F2NS — CID 102868390

IUPACN-(1,1-difluoropropan-2-yl)-2-methylsulfanylaniline
SMILESCSc1ccccc1NC(C)C(F)F
InChIInChI=1S/C10H13F2NS/c1-7(10(11)12)13-8-5-3-4-6-9(8)14-2/h3-7,10,13H,1-2H3
InChIKeyGUAXHYBFBYZZPG-UHFFFAOYSA-N
MW217.28 g/mol
LogP3.47
Rot. Bonds4

About N-(1,1-difluoropropan-2-yl)-2-methylsulfanylaniline

N-(1,1-difluoropropan-2-yl)-2-methylsulfanylaniline (PubChem CID 102868390) has the molecular formula C10H13F2NS and a molecular weight of 217.28 g/mol. Its IUPAC name is N-(1,1-difluoropropan-2-yl)-2-methylsulfanylaniline.

Molecular Properties

Compound NameN-(1,1-difluoropropan-2-yl)-2-methylsulfanylaniline
PubChem CID102868390
Molecular FormulaC10H13F2NS
Molecular Weight217.28 g/mol
Exact Mass217.07
IUPAC NameN-(1,1-difluoropropan-2-yl)-2-methylsulfanylaniline
SMILESCSc1ccccc1NC(C)C(F)F
InChIInChI=1S/C10H13F2NS/c1-7(10(11)12)13-8-5-3-4-6-9(8)14-2/h3-7,10,13H,1-2H3
InChIKeyGUAXHYBFBYZZPG-UHFFFAOYSA-N
XLogP3.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1,1-difluoropropan-2-yl)-2-(2,2,2-trifluoroethylsulfanyl)aniline
CID 102868476
2-(1,1-difluoropropan-2-ylamino)benzonitrile
CID 102867821
N-[1-(4-fluorophenyl)ethyl]-2-methylsulfanylaniline
CID 43225069
N-(2-methylsulfanylphenyl)hydroxylamine
CID 166768546
N-propan-2-yl-2-[2-(propan-2-ylamino)phenyl]sulfanylaniline
CID 100988560
N-(1,1-difluoropropan-2-yl)-2-phenoxyaniline
CID 102867685
2-[1-(2-methylsulfanylanilino)ethyl]phenol
CID 43683498
2-methylsulfanyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]aniline
CID 43683371
N-(1,1-difluoropropan-2-yl)-2-propoxyaniline
CID 102868377
4-[1-(2-methylsulfanylanilino)ethyl]phenol
CID 43683440
2-methylsulfanyl-N-(trifluoromethyl)aniline
CID 71648542
2-(1,1-difluoropropan-2-ylamino)-6-methylbenzonitrile
CID 107803393

Frequently Asked Questions

What is the IUPAC name of N-(1,1-difluoropropan-2-yl)-2-methylsulfanylaniline?
The IUPAC name of N-(1,1-difluoropropan-2-yl)-2-methylsulfanylaniline (CID 102868390) is N-(1,1-difluoropropan-2-yl)-2-methylsulfanylaniline.
What is the SMILES notation for N-(1,1-difluoropropan-2-yl)-2-methylsulfanylaniline?
The canonical SMILES for N-(1,1-difluoropropan-2-yl)-2-methylsulfanylaniline is CSc1ccccc1NC(C)C(F)F.
What is the InChIKey of N-(1,1-difluoropropan-2-yl)-2-methylsulfanylaniline?
The InChIKey is GUAXHYBFBYZZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NS/c1-7(10(11)12)13-8-5-3-4-6-9(8)14-2/h3-7,10,13H,1-2H3.
What are the key properties of N-(1,1-difluoropropan-2-yl)-2-methylsulfanylaniline?
N-(1,1-difluoropropan-2-yl)-2-methylsulfanylaniline has a molecular weight of 217.28 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-difluoropropan-2-yl)-2-methylsulfanylaniline is sourced from PubChem (CID 102868390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).