(4S)-6,6,6-trifluoro-4-methylhexane-2-sulfinamide

C7H14F3NOS — CID 155622219

IUPAC(4S)-6,6,6-trifluoro-4-methylhexane-2-sulfinamide
SMILESCC(C[C@@H](C)CC(F)(F)F)S(N)=O
InChIInChI=1S/C7H14F3NOS/c1-5(4-7(8,9)10)3-6(2)13(11)12/h5-6H,3-4,11H2,1-2H3/t5-,6?,13?/m1/s1
InChIKeyBTHFBFJTWLTPRO-VNFFJNKYSA-N
MW217.26 g/mol
LogP1.98
Rot. Bonds4

About (4S)-6,6,6-trifluoro-4-methylhexane-2-sulfinamide

(4S)-6,6,6-trifluoro-4-methylhexane-2-sulfinamide (PubChem CID 155622219) has the molecular formula C7H14F3NOS and a molecular weight of 217.26 g/mol. Its IUPAC name is (4S)-6,6,6-trifluoro-4-methylhexane-2-sulfinamide.

Molecular Properties

Compound Name(4S)-6,6,6-trifluoro-4-methylhexane-2-sulfinamide
PubChem CID155622219
Molecular FormulaC7H14F3NOS
Molecular Weight217.26 g/mol
Exact Mass217.07
IUPAC Name(4S)-6,6,6-trifluoro-4-methylhexane-2-sulfinamide
SMILESCC(C[C@@H](C)CC(F)(F)F)S(N)=O
InChIInChI=1S/C7H14F3NOS/c1-5(4-7(8,9)10)3-6(2)13(11)12/h5-6H,3-4,11H2,1-2H3/t5-,6?,13?/m1/s1
InChIKeyBTHFBFJTWLTPRO-VNFFJNKYSA-N
XLogP1.98
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4S)-6,6,6-trifluoro-4-methylhexane-2-sulfinamide?
The IUPAC name of (4S)-6,6,6-trifluoro-4-methylhexane-2-sulfinamide (CID 155622219) is (4S)-6,6,6-trifluoro-4-methylhexane-2-sulfinamide.
What is the SMILES notation for (4S)-6,6,6-trifluoro-4-methylhexane-2-sulfinamide?
The canonical SMILES for (4S)-6,6,6-trifluoro-4-methylhexane-2-sulfinamide is CC(C[C@@H](C)CC(F)(F)F)S(N)=O.
What is the InChIKey of (4S)-6,6,6-trifluoro-4-methylhexane-2-sulfinamide?
The InChIKey is BTHFBFJTWLTPRO-VNFFJNKYSA-N. The full InChI is InChI=1S/C7H14F3NOS/c1-5(4-7(8,9)10)3-6(2)13(11)12/h5-6H,3-4,11H2,1-2H3/t5-,6?,13?/m1/s1.
What are the key properties of (4S)-6,6,6-trifluoro-4-methylhexane-2-sulfinamide?
(4S)-6,6,6-trifluoro-4-methylhexane-2-sulfinamide has a molecular weight of 217.26 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6,6,6-trifluoro-4-methylhexane-2-sulfinamide is sourced from PubChem (CID 155622219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).