N-(2,2-dimethylpropyl)-2-(2,2-dimethylpropylsulfanylmethyl)-3,3,3-trifluoropropanamide

C14H26F3NOS — CID 58263712

IUPACN-(2,2-dimethylpropyl)-2-(2,2-dimethylpropylsulfanylmethyl)-3,3,3-trifluoropropanamide
SMILESCC(C)(C)CNC(=O)C(CSCC(C)(C)C)C(F)(F)F
InChIInChI=1S/C14H26F3NOS/c1-12(2,3)8-18-11(19)10(14(15,16)17)7-20-9-13(4,5)6/h10H,7-9H2,1-6H3,(H,18,19)
InChIKeyNETZQKVYFYRXCT-UHFFFAOYSA-N
MW313.43 g/mol
LogP4.11
Rot. Bonds5

About N-(2,2-dimethylpropyl)-2-(2,2-dimethylpropylsulfanylmethyl)-3,3,3-trifluoropropanamide

N-(2,2-dimethylpropyl)-2-(2,2-dimethylpropylsulfanylmethyl)-3,3,3-trifluoropropanamide (PubChem CID 58263712) has the molecular formula C14H26F3NOS and a molecular weight of 313.43 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-2-(2,2-dimethylpropylsulfanylmethyl)-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-2-(2,2-dimethylpropylsulfanylmethyl)-3,3,3-trifluoropropanamide
PubChem CID58263712
Molecular FormulaC14H26F3NOS
Molecular Weight313.43 g/mol
Exact Mass313.17
IUPAC NameN-(2,2-dimethylpropyl)-2-(2,2-dimethylpropylsulfanylmethyl)-3,3,3-trifluoropropanamide
SMILESCC(C)(C)CNC(=O)C(CSCC(C)(C)C)C(F)(F)F
InChIInChI=1S/C14H26F3NOS/c1-12(2,3)8-18-11(19)10(14(15,16)17)7-20-9-13(4,5)6/h10H,7-9H2,1-6H3,(H,18,19)
InChIKeyNETZQKVYFYRXCT-UHFFFAOYSA-N
XLogP4.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-2-(2,2-dimethylpropylsulfanylmethyl)-3,3,3-trifluoropropanamide?
The IUPAC name of N-(2,2-dimethylpropyl)-2-(2,2-dimethylpropylsulfanylmethyl)-3,3,3-trifluoropropanamide (CID 58263712) is N-(2,2-dimethylpropyl)-2-(2,2-dimethylpropylsulfanylmethyl)-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-2-(2,2-dimethylpropylsulfanylmethyl)-3,3,3-trifluoropropanamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-2-(2,2-dimethylpropylsulfanylmethyl)-3,3,3-trifluoropropanamide is CC(C)(C)CNC(=O)C(CSCC(C)(C)C)C(F)(F)F.
What is the InChIKey of N-(2,2-dimethylpropyl)-2-(2,2-dimethylpropylsulfanylmethyl)-3,3,3-trifluoropropanamide?
The InChIKey is NETZQKVYFYRXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NOS/c1-12(2,3)8-18-11(19)10(14(15,16)17)7-20-9-13(4,5)6/h10H,7-9H2,1-6H3,(H,18,19).
What are the key properties of N-(2,2-dimethylpropyl)-2-(2,2-dimethylpropylsulfanylmethyl)-3,3,3-trifluoropropanamide?
N-(2,2-dimethylpropyl)-2-(2,2-dimethylpropylsulfanylmethyl)-3,3,3-trifluoropropanamide has a molecular weight of 313.43 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-2-(2,2-dimethylpropylsulfanylmethyl)-3,3,3-trifluoropropanamide is sourced from PubChem (CID 58263712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).