[3-(2,2-difluoropropylsulfanyl)phenyl]methanamine

C10H13F2NS — CID 84683032

IUPAC[3-(2,2-difluoropropylsulfanyl)phenyl]methanamine
SMILESCC(F)(F)CSc1cccc(CN)c1
InChIInChI=1S/C10H13F2NS/c1-10(11,12)7-14-9-4-2-3-8(5-9)6-13/h2-5H,6-7,13H2,1H3
InChIKeyJGILGNFNIQGFFV-UHFFFAOYSA-N
MW217.28 g/mol
LogP2.89
Rot. Bonds4

About [3-(2,2-difluoropropylsulfanyl)phenyl]methanamine

[3-(2,2-difluoropropylsulfanyl)phenyl]methanamine (PubChem CID 84683032) has the molecular formula C10H13F2NS and a molecular weight of 217.28 g/mol. Its IUPAC name is [3-(2,2-difluoropropylsulfanyl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(2,2-difluoropropylsulfanyl)phenyl]methanamine
PubChem CID84683032
Molecular FormulaC10H13F2NS
Molecular Weight217.28 g/mol
Exact Mass217.07
IUPAC Name[3-(2,2-difluoropropylsulfanyl)phenyl]methanamine
SMILESCC(F)(F)CSc1cccc(CN)c1
InChIInChI=1S/C10H13F2NS/c1-10(11,12)7-14-9-4-2-3-8(5-9)6-13/h2-5H,6-7,13H2,1H3
InChIKeyJGILGNFNIQGFFV-UHFFFAOYSA-N
XLogP2.89
TPSA26.02 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 ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(3,3-difluorobutylsulfanyl)phenyl]methanamine
CID 84694932
[3-(3-fluoro-3-methylbutyl)sulfanylphenyl]methanamine
CID 84691373
(3-propylsulfanylphenyl)methanamine
CID 66356001
[3-(2-fluoropropylsulfanyl)phenyl]methanamine
CID 84669018
3-[3-(aminomethyl)phenyl]sulfanyl-1,1,1-trifluoropropan-2-ol
CID 66354542
[3-[(2,6-difluorophenyl)methylsulfanyl]phenyl]methanamine
CID 114934314
[3-[(3,5-dimethylphenyl)methylsulfanyl]phenyl]methanamine
CID 66354106
3-(2-fluoro-2-methylpropyl)sulfanylaniline
CID 84669013
[3-(2-ethylsulfonylethylsulfanyl)phenyl]methanamine
CID 66354536
2-[3-(aminomethyl)phenyl]sulfanyl-N,N-diethylethanamine
CID 66354101
[3-[(3,4-dimethylphenyl)methylsulfanyl]phenyl]methanamine
CID 66353892
[3-(2-fluoro-3,3-dimethylbutan-2-yl)phenyl]methanamine
CID 115026580

Frequently Asked Questions

What is the IUPAC name of [3-(2,2-difluoropropylsulfanyl)phenyl]methanamine?
The IUPAC name of [3-(2,2-difluoropropylsulfanyl)phenyl]methanamine (CID 84683032) is [3-(2,2-difluoropropylsulfanyl)phenyl]methanamine.
What is the SMILES notation for [3-(2,2-difluoropropylsulfanyl)phenyl]methanamine?
The canonical SMILES for [3-(2,2-difluoropropylsulfanyl)phenyl]methanamine is CC(F)(F)CSc1cccc(CN)c1.
What is the InChIKey of [3-(2,2-difluoropropylsulfanyl)phenyl]methanamine?
The InChIKey is JGILGNFNIQGFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NS/c1-10(11,12)7-14-9-4-2-3-8(5-9)6-13/h2-5H,6-7,13H2,1H3.
What are the key properties of [3-(2,2-difluoropropylsulfanyl)phenyl]methanamine?
[3-(2,2-difluoropropylsulfanyl)phenyl]methanamine has a molecular weight of 217.28 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,2-difluoropropylsulfanyl)phenyl]methanamine is sourced from PubChem (CID 84683032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).