(R)-2-methyl-N-(6,6,6-trifluorohex-1-en-3-yl)propane-2-sulfinamide

C10H18F3NOS — CID 163279084

IUPAC(R)-2-methyl-N-(6,6,6-trifluorohex-1-en-3-yl)propane-2-sulfinamide
SMILESC=CC(CCC(F)(F)F)N[S@](=O)C(C)(C)C
InChIInChI=1S/C10H18F3NOS/c1-5-8(6-7-10(11,12)13)14-16(15)9(2,3)4/h5,8,14H,1,6-7H2,2-4H3/t8?,16-/m1/s1
InChIKeyMHVXGCBPKMSWMI-QGMFIHTFSA-N
MW257.32 g/mol
LogP2.94
Rot. Bonds5

About (R)-2-methyl-N-(6,6,6-trifluorohex-1-en-3-yl)propane-2-sulfinamide

(R)-2-methyl-N-(6,6,6-trifluorohex-1-en-3-yl)propane-2-sulfinamide (PubChem CID 163279084) has the molecular formula C10H18F3NOS and a molecular weight of 257.32 g/mol. Its IUPAC name is (R)-2-methyl-N-(6,6,6-trifluorohex-1-en-3-yl)propane-2-sulfinamide.

Molecular Properties

Compound Name(R)-2-methyl-N-(6,6,6-trifluorohex-1-en-3-yl)propane-2-sulfinamide
PubChem CID163279084
Molecular FormulaC10H18F3NOS
Molecular Weight257.32 g/mol
Exact Mass257.11
IUPAC Name(R)-2-methyl-N-(6,6,6-trifluorohex-1-en-3-yl)propane-2-sulfinamide
SMILESC=CC(CCC(F)(F)F)N[S@](=O)C(C)(C)C
InChIInChI=1S/C10H18F3NOS/c1-5-8(6-7-10(11,12)13)14-16(15)9(2,3)4/h5,8,14H,1,6-7H2,2-4H3/t8?,16-/m1/s1
InChIKeyMHVXGCBPKMSWMI-QGMFIHTFSA-N
XLogP2.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(S)-2-methyl-N-[(2S)-1,1,1-trifluoropent-4-en-2-yl]propane-2-sulfinamide
CID 134857549
(S)-2-methyl-N-[(2S)-1,1,1-trifluorobut-3-en-2-yl]propane-2-sulfinamide
CID 11615546
2-methyl-N-[(2S)-1,1,1-trifluoropent-4-en-2-yl]propane-2-sulfinamide
CID 101399060
(R)-2-methyl-N-[(2R)-1,1,1-trifluorobut-3-en-2-yl]propane-2-sulfinamide
CID 140156780
(S)-2-methyl-N-[(2S)-1,1,1-trifluoropent-4-en-2-yl]propane-1-sulfinamide
CID 140188151
N-(1,1-difluorobut-3-en-2-yl)-2-methylpropane-2-sulfinamide
CID 140762676
(R)-2-methyl-N-[(2R)-1,1,1-trifluoropent-4-en-2-yl]propane-2-sulfinamide
CID 163278136
(S)-2-methyl-N-[(4S)-7,7,7-trifluorohept-1-en-4-yl]propane-2-sulfinamide
CID 163278233
(S)-2-methyl-N-[(4R)-1,1,1-trifluorooct-7-en-4-yl]propane-2-sulfinamide
CID 163278360
(S)-2-methyl-N-[(3R)-1,1,1-trifluorohex-5-en-3-yl]propane-2-sulfinamide
CID 163278402
(S)-2-methyl-N-[(2R)-1,1,1-trifluoropent-4-en-2-yl]propane-2-sulfinamide
CID 163278607
2-methyl-N-(7,7,7-trifluoro-3-methylhept-1-en-4-yl)propane-2-sulfinamide
CID 163278730

Frequently Asked Questions

What is the IUPAC name of (R)-2-methyl-N-(6,6,6-trifluorohex-1-en-3-yl)propane-2-sulfinamide?
The IUPAC name of (R)-2-methyl-N-(6,6,6-trifluorohex-1-en-3-yl)propane-2-sulfinamide (CID 163279084) is (R)-2-methyl-N-(6,6,6-trifluorohex-1-en-3-yl)propane-2-sulfinamide.
What is the SMILES notation for (R)-2-methyl-N-(6,6,6-trifluorohex-1-en-3-yl)propane-2-sulfinamide?
The canonical SMILES for (R)-2-methyl-N-(6,6,6-trifluorohex-1-en-3-yl)propane-2-sulfinamide is C=CC(CCC(F)(F)F)N[S@](=O)C(C)(C)C.
What is the InChIKey of (R)-2-methyl-N-(6,6,6-trifluorohex-1-en-3-yl)propane-2-sulfinamide?
The InChIKey is MHVXGCBPKMSWMI-QGMFIHTFSA-N. The full InChI is InChI=1S/C10H18F3NOS/c1-5-8(6-7-10(11,12)13)14-16(15)9(2,3)4/h5,8,14H,1,6-7H2,2-4H3/t8?,16-/m1/s1.
What are the key properties of (R)-2-methyl-N-(6,6,6-trifluorohex-1-en-3-yl)propane-2-sulfinamide?
(R)-2-methyl-N-(6,6,6-trifluorohex-1-en-3-yl)propane-2-sulfinamide has a molecular weight of 257.32 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-2-methyl-N-(6,6,6-trifluorohex-1-en-3-yl)propane-2-sulfinamide is sourced from PubChem (CID 163279084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).