N-[(1R)-1-[3-fluoro-5-(fluoromethyl)phenyl]prop-2-enyl]-2-methylpropane-2-sulfinamide

C14H19F2NOS — CID 118045945

IUPACN-[(1R)-1-[3-fluoro-5-(fluoromethyl)phenyl]prop-2-enyl]-2-methylpropane-2-sulfinamide
SMILESC=C[C@@H](NS(=O)C(C)(C)C)c1cc(F)cc(CF)c1
InChIInChI=1S/C14H19F2NOS/c1-5-13(17-19(18)14(2,3)4)11-6-10(9-15)7-12(16)8-11/h5-8,13,17H,1,9H2,2-4H3/t13-,19?/m1/s1
InChIKeyLVHWGSORBXVDIF-BSOCMFCZSA-N
MW287.38 g/mol
LogP3.57
Rot. Bonds5

About N-[(1R)-1-[3-fluoro-5-(fluoromethyl)phenyl]prop-2-enyl]-2-methylpropane-2-sulfinamide

N-[(1R)-1-[3-fluoro-5-(fluoromethyl)phenyl]prop-2-enyl]-2-methylpropane-2-sulfinamide (PubChem CID 118045945) has the molecular formula C14H19F2NOS and a molecular weight of 287.38 g/mol. Its IUPAC name is N-[(1R)-1-[3-fluoro-5-(fluoromethyl)phenyl]prop-2-enyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(1R)-1-[3-fluoro-5-(fluoromethyl)phenyl]prop-2-enyl]-2-methylpropane-2-sulfinamide
PubChem CID118045945
Molecular FormulaC14H19F2NOS
Molecular Weight287.38 g/mol
Exact Mass287.12
IUPAC NameN-[(1R)-1-[3-fluoro-5-(fluoromethyl)phenyl]prop-2-enyl]-2-methylpropane-2-sulfinamide
SMILESC=C[C@@H](NS(=O)C(C)(C)C)c1cc(F)cc(CF)c1
InChIInChI=1S/C14H19F2NOS/c1-5-13(17-19(18)14(2,3)4)11-6-10(9-15)7-12(16)8-11/h5-8,13,17H,1,9H2,2-4H3/t13-,19?/m1/s1
InChIKeyLVHWGSORBXVDIF-BSOCMFCZSA-N
XLogP3.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[3-fluoro-5-(fluoromethyl)phenyl]prop-2-enyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[(1R)-1-[3-fluoro-5-(fluoromethyl)phenyl]prop-2-enyl]-2-methylpropane-2-sulfinamide (CID 118045945) is N-[(1R)-1-[3-fluoro-5-(fluoromethyl)phenyl]prop-2-enyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[(1R)-1-[3-fluoro-5-(fluoromethyl)phenyl]prop-2-enyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[(1R)-1-[3-fluoro-5-(fluoromethyl)phenyl]prop-2-enyl]-2-methylpropane-2-sulfinamide is C=C[C@@H](NS(=O)C(C)(C)C)c1cc(F)cc(CF)c1.
What is the InChIKey of N-[(1R)-1-[3-fluoro-5-(fluoromethyl)phenyl]prop-2-enyl]-2-methylpropane-2-sulfinamide?
The InChIKey is LVHWGSORBXVDIF-BSOCMFCZSA-N. The full InChI is InChI=1S/C14H19F2NOS/c1-5-13(17-19(18)14(2,3)4)11-6-10(9-15)7-12(16)8-11/h5-8,13,17H,1,9H2,2-4H3/t13-,19?/m1/s1.
What are the key properties of N-[(1R)-1-[3-fluoro-5-(fluoromethyl)phenyl]prop-2-enyl]-2-methylpropane-2-sulfinamide?
N-[(1R)-1-[3-fluoro-5-(fluoromethyl)phenyl]prop-2-enyl]-2-methylpropane-2-sulfinamide has a molecular weight of 287.38 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[3-fluoro-5-(fluoromethyl)phenyl]prop-2-enyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 118045945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).