1,1-difluoro-N-(2-prop-2-enylsulfanylethyl)propan-2-amine

C8H15F2NS — CID 106425391

IUPAC1,1-difluoro-N-(2-prop-2-enylsulfanylethyl)propan-2-amine
SMILESC=CCSCCNC(C)C(F)F
InChIInChI=1S/C8H15F2NS/c1-3-5-12-6-4-11-7(2)8(9)10/h3,7-8,11H,1,4-6H2,2H3
InChIKeyFAASQPLEQKSEMD-UHFFFAOYSA-N
MW195.28 g/mol
LogP2.15
Rot. Bonds7

About 1,1-difluoro-N-(2-prop-2-enylsulfanylethyl)propan-2-amine

1,1-difluoro-N-(2-prop-2-enylsulfanylethyl)propan-2-amine (PubChem CID 106425391) has the molecular formula C8H15F2NS and a molecular weight of 195.28 g/mol. Its IUPAC name is 1,1-difluoro-N-(2-prop-2-enylsulfanylethyl)propan-2-amine.

Molecular Properties

Compound Name1,1-difluoro-N-(2-prop-2-enylsulfanylethyl)propan-2-amine
PubChem CID106425391
Molecular FormulaC8H15F2NS
Molecular Weight195.28 g/mol
Exact Mass195.09
IUPAC Name1,1-difluoro-N-(2-prop-2-enylsulfanylethyl)propan-2-amine
SMILESC=CCSCCNC(C)C(F)F
InChIInChI=1S/C8H15F2NS/c1-3-5-12-6-4-11-7(2)8(9)10/h3,7-8,11H,1,4-6H2,2H3
InChIKeyFAASQPLEQKSEMD-UHFFFAOYSA-N
XLogP2.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,1,1-trifluoro-N-(2-prop-1-en-2-ylsulfanylethyl)propan-2-amine
CID 167080608
6,6,6-trifluoro-N-(2-prop-2-enylsulfanylethyl)hexan-2-amine
CID 104925082
2-fluoro-N-(2-prop-2-enylsulfanylethyl)ethanamine
CID 106427472
2,2,2-trifluoro-N-(2-prop-2-enylsulfanylethyl)ethanamine
CID 106427545
4,4,4-trifluoro-N-(2-prop-2-enylsulfanylethyl)butan-1-amine
CID 106427682
2,2-difluoro-N-(2-prop-2-enylsulfanylethyl)ethanamine
CID 106427794
3,3,3-trifluoro-N-(2-prop-2-enylsulfanylethyl)propan-1-amine
CID 106427931
2-prop-2-enylsulfanyl-N-[2-(trifluoromethylsulfanyl)ethyl]ethanamine
CID 106428159
(E)-N-[2-(trifluoromethylsulfanyl)ethyl]but-2-en-1-amine
CID 106429034
N-[2-(trifluoromethylsulfanyl)ethyl]prop-2-en-1-amine
CID 116615241
N-[2-(trifluoromethylsulfanyl)ethyl]pent-4-en-2-amine
CID 116615774
N-[2-(trifluoromethylsulfanyl)ethyl]but-3-en-2-amine
CID 116615789

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-(2-prop-2-enylsulfanylethyl)propan-2-amine?
The IUPAC name of 1,1-difluoro-N-(2-prop-2-enylsulfanylethyl)propan-2-amine (CID 106425391) is 1,1-difluoro-N-(2-prop-2-enylsulfanylethyl)propan-2-amine.
What is the SMILES notation for 1,1-difluoro-N-(2-prop-2-enylsulfanylethyl)propan-2-amine?
The canonical SMILES for 1,1-difluoro-N-(2-prop-2-enylsulfanylethyl)propan-2-amine is C=CCSCCNC(C)C(F)F.
What is the InChIKey of 1,1-difluoro-N-(2-prop-2-enylsulfanylethyl)propan-2-amine?
The InChIKey is FAASQPLEQKSEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NS/c1-3-5-12-6-4-11-7(2)8(9)10/h3,7-8,11H,1,4-6H2,2H3.
What are the key properties of 1,1-difluoro-N-(2-prop-2-enylsulfanylethyl)propan-2-amine?
1,1-difluoro-N-(2-prop-2-enylsulfanylethyl)propan-2-amine has a molecular weight of 195.28 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-(2-prop-2-enylsulfanylethyl)propan-2-amine is sourced from PubChem (CID 106425391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).