(1R)-2,2-difluoro-5-methylsulfanyl-5-propan-2-ylcyclopentan-1-amine

C9H17F2NS — CID 146510508

IUPAC(1R)-2,2-difluoro-5-methylsulfanyl-5-propan-2-ylcyclopentan-1-amine
SMILESCSC1(C(C)C)CCC(F)(F)[C@H]1N
InChIInChI=1S/C9H17F2NS/c1-6(2)8(13-3)4-5-9(10,11)7(8)12/h6-7H,4-5,12H2,1-3H3/t7-,8?/m0/s1
InChIKeyGTTBEGYVEINCCT-JAMMHHFISA-N
MW209.30 g/mol
LogP2.50
Rot. Bonds2

About (1R)-2,2-difluoro-5-methylsulfanyl-5-propan-2-ylcyclopentan-1-amine

(1R)-2,2-difluoro-5-methylsulfanyl-5-propan-2-ylcyclopentan-1-amine (PubChem CID 146510508) has the molecular formula C9H17F2NS and a molecular weight of 209.30 g/mol. Its IUPAC name is (1R)-2,2-difluoro-5-methylsulfanyl-5-propan-2-ylcyclopentan-1-amine.

Molecular Properties

Compound Name(1R)-2,2-difluoro-5-methylsulfanyl-5-propan-2-ylcyclopentan-1-amine
PubChem CID146510508
Molecular FormulaC9H17F2NS
Molecular Weight209.30 g/mol
Exact Mass209.10
IUPAC Name(1R)-2,2-difluoro-5-methylsulfanyl-5-propan-2-ylcyclopentan-1-amine
SMILESCSC1(C(C)C)CCC(F)(F)[C@H]1N
InChIInChI=1S/C9H17F2NS/c1-6(2)8(13-3)4-5-9(10,11)7(8)12/h6-7H,4-5,12H2,1-3H3/t7-,8?/m0/s1
InChIKeyGTTBEGYVEINCCT-JAMMHHFISA-N
XLogP2.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.30
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-2,2-difluoro-5-methylsulfanyl-5-propan-2-ylcyclopentan-1-amine?
The IUPAC name of (1R)-2,2-difluoro-5-methylsulfanyl-5-propan-2-ylcyclopentan-1-amine (CID 146510508) is (1R)-2,2-difluoro-5-methylsulfanyl-5-propan-2-ylcyclopentan-1-amine.
What is the SMILES notation for (1R)-2,2-difluoro-5-methylsulfanyl-5-propan-2-ylcyclopentan-1-amine?
The canonical SMILES for (1R)-2,2-difluoro-5-methylsulfanyl-5-propan-2-ylcyclopentan-1-amine is CSC1(C(C)C)CCC(F)(F)[C@H]1N.
What is the InChIKey of (1R)-2,2-difluoro-5-methylsulfanyl-5-propan-2-ylcyclopentan-1-amine?
The InChIKey is GTTBEGYVEINCCT-JAMMHHFISA-N. The full InChI is InChI=1S/C9H17F2NS/c1-6(2)8(13-3)4-5-9(10,11)7(8)12/h6-7H,4-5,12H2,1-3H3/t7-,8?/m0/s1.
What are the key properties of (1R)-2,2-difluoro-5-methylsulfanyl-5-propan-2-ylcyclopentan-1-amine?
(1R)-2,2-difluoro-5-methylsulfanyl-5-propan-2-ylcyclopentan-1-amine has a molecular weight of 209.30 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2-difluoro-5-methylsulfanyl-5-propan-2-ylcyclopentan-1-amine is sourced from PubChem (CID 146510508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).