(Z)-5,5,5-trifluoro-4-methyl-3-propan-2-ylsulfanylpent-2-ene

C9H15F3S — CID 142856958

IUPAC(Z)-5,5,5-trifluoro-4-methyl-3-propan-2-ylsulfanylpent-2-ene
SMILESC/C=C(\SC(C)C)C(C)C(F)(F)F
InChIInChI=1S/C9H15F3S/c1-5-8(13-6(2)3)7(4)9(10,11)12/h5-7H,1-4H3/b8-5-
InChIKeyZGVISHWTBYZXSD-YVMONPNESA-N
MW212.28 g/mol
LogP4.23
Rot. Bonds3

About (Z)-5,5,5-trifluoro-4-methyl-3-propan-2-ylsulfanylpent-2-ene

(Z)-5,5,5-trifluoro-4-methyl-3-propan-2-ylsulfanylpent-2-ene (PubChem CID 142856958) has the molecular formula C9H15F3S and a molecular weight of 212.28 g/mol. Its IUPAC name is (Z)-5,5,5-trifluoro-4-methyl-3-propan-2-ylsulfanylpent-2-ene.

Molecular Properties

Compound Name(Z)-5,5,5-trifluoro-4-methyl-3-propan-2-ylsulfanylpent-2-ene
PubChem CID142856958
Molecular FormulaC9H15F3S
Molecular Weight212.28 g/mol
Exact Mass212.08
IUPAC Name(Z)-5,5,5-trifluoro-4-methyl-3-propan-2-ylsulfanylpent-2-ene
SMILESC/C=C(\SC(C)C)C(C)C(F)(F)F
InChIInChI=1S/C9H15F3S/c1-5-8(13-6(2)3)7(4)9(10,11)12/h5-7H,1-4H3/b8-5-
InChIKeyZGVISHWTBYZXSD-YVMONPNESA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.28
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(Butylsulfanyl)-3,4,4,5,5,6,6,6-octafluorohex-2-ene
CID 71429344
(E)-1-ethylsulfanyl-5,5,6,6,7,7,7-heptafluorohept-3-ene
CID 134896906
(E)-3-ethylsulfanyl-1,1,1,2,5,5,5-heptafluoro-4-(trifluoromethyl)pent-2-ene
CID 12828099
6-butan-2-yl-2-fluoro-3,4-dihydro-2H-thiopyran
CID 67802537
(Z)-1-methylsulfanyl-3-(trifluoromethyl)pent-2-ene
CID 87187664
3-Ethyl-4,4,5,5,5-pentafluoro-1-propylsulfanylpent-2-ene
CID 90955522
4,4,5,5,5-Pentafluoro-3-methyl-1-propylsulfanylpent-2-ene
CID 90974987
3-Ethyl-4,4,5,5,6,6,6-heptafluoro-1-propylsulfanylhex-2-ene
CID 91064009
1-Ethylsulfanyl-3-(trifluoromethyl)pent-2-ene
CID 91233573
1-Propylsulfanyl-3-(trifluoromethyl)pent-2-ene
CID 91339078
1-Methylsulfanyl-3-(trifluoromethyl)pent-2-ene
CID 91461096
4,4,5,5,6,6,6-Heptafluoro-3-methyl-1-propylsulfanylhex-2-ene
CID 91575657

Frequently Asked Questions

What is the IUPAC name of (Z)-5,5,5-trifluoro-4-methyl-3-propan-2-ylsulfanylpent-2-ene?
The IUPAC name of (Z)-5,5,5-trifluoro-4-methyl-3-propan-2-ylsulfanylpent-2-ene (CID 142856958) is (Z)-5,5,5-trifluoro-4-methyl-3-propan-2-ylsulfanylpent-2-ene.
What is the SMILES notation for (Z)-5,5,5-trifluoro-4-methyl-3-propan-2-ylsulfanylpent-2-ene?
The canonical SMILES for (Z)-5,5,5-trifluoro-4-methyl-3-propan-2-ylsulfanylpent-2-ene is C/C=C(\SC(C)C)C(C)C(F)(F)F.
What is the InChIKey of (Z)-5,5,5-trifluoro-4-methyl-3-propan-2-ylsulfanylpent-2-ene?
The InChIKey is ZGVISHWTBYZXSD-YVMONPNESA-N. The full InChI is InChI=1S/C9H15F3S/c1-5-8(13-6(2)3)7(4)9(10,11)12/h5-7H,1-4H3/b8-5-.
What are the key properties of (Z)-5,5,5-trifluoro-4-methyl-3-propan-2-ylsulfanylpent-2-ene?
(Z)-5,5,5-trifluoro-4-methyl-3-propan-2-ylsulfanylpent-2-ene has a molecular weight of 212.28 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5,5,5-trifluoro-4-methyl-3-propan-2-ylsulfanylpent-2-ene is sourced from PubChem (CID 142856958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).