(Z)-1-(1,1-difluoropropan-2-ylideneamino)-1-methylsulfanylbut-1-en-2-amine

C8H14F2N2S — CID 163880553

IUPAC(Z)-1-(1,1-difluoropropan-2-ylideneamino)-1-methylsulfanylbut-1-en-2-amine
SMILESCC/C(N)=C(\N=C(C)C(F)F)SC
InChIInChI=1S/C8H14F2N2S/c1-4-6(11)8(13-3)12-5(2)7(9)10/h7H,4,11H2,1-3H3/b8-6-,12-5?
InChIKeyPSVFZNNJCBRIOF-OYMLTPMBSA-N
MW208.28 g/mol
LogP2.61
Rot. Bonds4

About (Z)-1-(1,1-difluoropropan-2-ylideneamino)-1-methylsulfanylbut-1-en-2-amine

(Z)-1-(1,1-difluoropropan-2-ylideneamino)-1-methylsulfanylbut-1-en-2-amine (PubChem CID 163880553) has the molecular formula C8H14F2N2S and a molecular weight of 208.28 g/mol. Its IUPAC name is (Z)-1-(1,1-difluoropropan-2-ylideneamino)-1-methylsulfanylbut-1-en-2-amine.

Molecular Properties

Compound Name(Z)-1-(1,1-difluoropropan-2-ylideneamino)-1-methylsulfanylbut-1-en-2-amine
PubChem CID163880553
Molecular FormulaC8H14F2N2S
Molecular Weight208.28 g/mol
Exact Mass208.08
IUPAC Name(Z)-1-(1,1-difluoropropan-2-ylideneamino)-1-methylsulfanylbut-1-en-2-amine
SMILESCC/C(N)=C(\N=C(C)C(F)F)SC
InChIInChI=1S/C8H14F2N2S/c1-4-6(11)8(13-3)12-5(2)7(9)10/h7H,4,11H2,1-3H3/b8-6-,12-5?
InChIKeyPSVFZNNJCBRIOF-OYMLTPMBSA-N
XLogP2.61
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[(E)-1,1-difluoropropan-2-ylideneamino]-1,1-difluoropropan-2-imine
CID 118063031
(NZ)-N-(1,1-difluoropropan-2-ylidene)hydroxylamine
CID 22769389
(E)-4-methylhex-3-en-3-amine
CID 129020883
(Z)-2-methyl-1-methylsulfanylbut-1-en-1-amine
CID 173476232
S-methyl N-(3-methylpentan-2-ylidene)carbamothioate
CID 123144313
N-[(Z)-2-fluoro-1-methylsulfanylprop-1-enyl]propan-2-imine
CID 176708155
methyl N'-ethylphosphanylcarbamimidothioate
CID 123428742
(3E,5E)-6-bromo-4-methyl-6-(methylideneamino)hexa-3,5-dien-3-amine
CID 143720548
(Z,3E)-2,2-dimethyl-3-[(Z)-2-methyl-1-methylsulfanylbut-1-enyl]iminohex-4-enoic acid
CID 156706808
N'-[(Z)-1-aminoethylideneamino]propanimidamide;ethane
CID 178136818
methyl N'-ethylcarbamimidothioate;hydrochloride
CID 158305401
methyl N'-hexylcarbamimidothioate
CID 157360407

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(1,1-difluoropropan-2-ylideneamino)-1-methylsulfanylbut-1-en-2-amine?
The IUPAC name of (Z)-1-(1,1-difluoropropan-2-ylideneamino)-1-methylsulfanylbut-1-en-2-amine (CID 163880553) is (Z)-1-(1,1-difluoropropan-2-ylideneamino)-1-methylsulfanylbut-1-en-2-amine.
What is the SMILES notation for (Z)-1-(1,1-difluoropropan-2-ylideneamino)-1-methylsulfanylbut-1-en-2-amine?
The canonical SMILES for (Z)-1-(1,1-difluoropropan-2-ylideneamino)-1-methylsulfanylbut-1-en-2-amine is CC/C(N)=C(\N=C(C)C(F)F)SC.
What is the InChIKey of (Z)-1-(1,1-difluoropropan-2-ylideneamino)-1-methylsulfanylbut-1-en-2-amine?
The InChIKey is PSVFZNNJCBRIOF-OYMLTPMBSA-N. The full InChI is InChI=1S/C8H14F2N2S/c1-4-6(11)8(13-3)12-5(2)7(9)10/h7H,4,11H2,1-3H3/b8-6-,12-5?.
What are the key properties of (Z)-1-(1,1-difluoropropan-2-ylideneamino)-1-methylsulfanylbut-1-en-2-amine?
(Z)-1-(1,1-difluoropropan-2-ylideneamino)-1-methylsulfanylbut-1-en-2-amine has a molecular weight of 208.28 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(1,1-difluoropropan-2-ylideneamino)-1-methylsulfanylbut-1-en-2-amine is sourced from PubChem (CID 163880553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).