N-[(2,4-difluorophenyl)methyl]thietan-3-amine

C10H11F2NS — CID 130654551

IUPACN-[(2,4-difluorophenyl)methyl]thietan-3-amine
SMILESFc1ccc(CNC2CSC2)c(F)c1
InChIInChI=1S/C10H11F2NS/c11-8-2-1-7(10(12)3-8)4-13-9-5-14-6-9/h1-3,9,13H,4-6H2
InChIKeyUGWMKFJERJNLQC-UHFFFAOYSA-N
MW215.27 g/mol
LogP2.17
Rot. Bonds3

About N-[(2,4-difluorophenyl)methyl]thietan-3-amine

N-[(2,4-difluorophenyl)methyl]thietan-3-amine (PubChem CID 130654551) has the molecular formula C10H11F2NS and a molecular weight of 215.27 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]thietan-3-amine.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]thietan-3-amine
PubChem CID130654551
Molecular FormulaC10H11F2NS
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC NameN-[(2,4-difluorophenyl)methyl]thietan-3-amine
SMILESFc1ccc(CNC2CSC2)c(F)c1
InChIInChI=1S/C10H11F2NS/c11-8-2-1-7(10(12)3-8)4-13-9-5-14-6-9/h1-3,9,13H,4-6H2
InChIKeyUGWMKFJERJNLQC-UHFFFAOYSA-N
XLogP2.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-[(2,4-difluorophenyl)methyl]cyclohexane-1,4-diamine
CID 62313669
N-[(2,4-difluorophenyl)methyl]-3-(4-fluorophenyl)cyclobutan-1-amine
CID 62223639
N-[(2,4-difluorophenyl)methyl]-1-oxothian-4-amine
CID 55048533
N-[(2,4-dichlorophenyl)methyl]thietan-3-amine
CID 130679532
N-[(2,4-difluorophenyl)methyl]-4,4-dimethylthian-3-amine
CID 79949049
1-N-[(2,4-difluorophenyl)methyl]cyclohexane-1,3-diamine
CID 79459161
N-[(2,4-difluorophenyl)methyl]-4,4-dimethylcycloheptan-1-amine
CID 65083467
N-[(2,4-difluorophenyl)methyl]-1-propan-2-ylpiperidin-4-amine
CID 28716417
N-[(2,4-difluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65091712
N-[(2,5-difluorophenyl)methyl]-5,5-dimethylthian-3-amine
CID 79959140
N-[(2,4-difluorophenyl)methyl]-2,3-dihydro-1-benzothiophen-3-amine
CID 78993268
3-chloro-4-[(2,4-difluorophenyl)methyl]thiolane
CID 83191354

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]thietan-3-amine?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]thietan-3-amine (CID 130654551) is N-[(2,4-difluorophenyl)methyl]thietan-3-amine.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]thietan-3-amine?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]thietan-3-amine is Fc1ccc(CNC2CSC2)c(F)c1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]thietan-3-amine?
The InChIKey is UGWMKFJERJNLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NS/c11-8-2-1-7(10(12)3-8)4-13-9-5-14-6-9/h1-3,9,13H,4-6H2.
What are the key properties of N-[(2,4-difluorophenyl)methyl]thietan-3-amine?
N-[(2,4-difluorophenyl)methyl]thietan-3-amine has a molecular weight of 215.27 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]thietan-3-amine is sourced from PubChem (CID 130654551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).