(2R)-2-butan-2-ylsulfanyl-1,1,1-trifluoro-3-methylbutane

C9H17F3S — CID 166781458

IUPAC(2R)-2-butan-2-ylsulfanyl-1,1,1-trifluoro-3-methylbutane
SMILESCCC(C)S[C@H](C(C)C)C(F)(F)F
InChIInChI=1S/C9H17F3S/c1-5-7(4)13-8(6(2)3)9(10,11)12/h6-8H,5H2,1-4H3/t7?,8-/m1/s1
InChIKeyLMVLNXPQSRMNOS-BRFYHDHCSA-N
MW214.30 g/mol
LogP4.11
Rot. Bonds4

About (2R)-2-butan-2-ylsulfanyl-1,1,1-trifluoro-3-methylbutane

(2R)-2-butan-2-ylsulfanyl-1,1,1-trifluoro-3-methylbutane (PubChem CID 166781458) has the molecular formula C9H17F3S and a molecular weight of 214.30 g/mol. Its IUPAC name is (2R)-2-butan-2-ylsulfanyl-1,1,1-trifluoro-3-methylbutane.

Molecular Properties

Compound Name(2R)-2-butan-2-ylsulfanyl-1,1,1-trifluoro-3-methylbutane
PubChem CID166781458
Molecular FormulaC9H17F3S
Molecular Weight214.30 g/mol
Exact Mass214.10
IUPAC Name(2R)-2-butan-2-ylsulfanyl-1,1,1-trifluoro-3-methylbutane
SMILESCCC(C)S[C@H](C(C)C)C(F)(F)F
InChIInChI=1S/C9H17F3S/c1-5-7(4)13-8(6(2)3)9(10,11)12/h6-8H,5H2,1-4H3/t7?,8-/m1/s1
InChIKeyLMVLNXPQSRMNOS-BRFYHDHCSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-propan-2-ylsulfanylbutane
CID 92859736
(2R)-2-propan-2-ylsulfanylbutane
CID 92859735
(2S)-2-[[(2R)-butan-2-yl]disulfanyl]butane
CID 7458634
3-ethyl-1,1,1-trifluoro-2,4-dimethylpentane
CID 166136871
methane;bis(1,1,1-trifluoro-2-methylbutane)
CID 161468876
(4S)-1,1,1-trifluoro-4,6-dimethyl-2-(trifluoromethyl)octane
CID 162565370
2-butan-2-ylsulfanylpentan-3-amine
CID 64613429
triethyl(1,1,1,3,3,3-hexafluoropropan-2-yl)azanium
CID 98041551
1,1,1-trifluoro-3-(4,4,4-trifluorobutan-2-ylsulfanyl)butane
CID 87155190
2-(fluoromethylsulfanyl)butane
CID 139914131
(4R)-5-ethyl-2,4-dimethyl-3-propan-2-yl-4-(trifluoromethyl)heptane
CID 167052231
1,1,1-trifluoro-2-(propan-2-yldisulfanyl)butane
CID 155242902

Frequently Asked Questions

What is the IUPAC name of (2R)-2-butan-2-ylsulfanyl-1,1,1-trifluoro-3-methylbutane?
The IUPAC name of (2R)-2-butan-2-ylsulfanyl-1,1,1-trifluoro-3-methylbutane (CID 166781458) is (2R)-2-butan-2-ylsulfanyl-1,1,1-trifluoro-3-methylbutane.
What is the SMILES notation for (2R)-2-butan-2-ylsulfanyl-1,1,1-trifluoro-3-methylbutane?
The canonical SMILES for (2R)-2-butan-2-ylsulfanyl-1,1,1-trifluoro-3-methylbutane is CCC(C)S[C@H](C(C)C)C(F)(F)F.
What is the InChIKey of (2R)-2-butan-2-ylsulfanyl-1,1,1-trifluoro-3-methylbutane?
The InChIKey is LMVLNXPQSRMNOS-BRFYHDHCSA-N. The full InChI is InChI=1S/C9H17F3S/c1-5-7(4)13-8(6(2)3)9(10,11)12/h6-8H,5H2,1-4H3/t7?,8-/m1/s1.
What are the key properties of (2R)-2-butan-2-ylsulfanyl-1,1,1-trifluoro-3-methylbutane?
(2R)-2-butan-2-ylsulfanyl-1,1,1-trifluoro-3-methylbutane has a molecular weight of 214.30 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-butan-2-ylsulfanyl-1,1,1-trifluoro-3-methylbutane is sourced from PubChem (CID 166781458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).