2-amino-4-(2,5-difluorophenyl)sulfanyl-2-methylpentan-1-ol

C12H17F2NOS — CID 64807661

IUPAC2-amino-4-(2,5-difluorophenyl)sulfanyl-2-methylpentan-1-ol
SMILESCC(CC(C)(N)CO)Sc1cc(F)ccc1F
InChIInChI=1S/C12H17F2NOS/c1-8(6-12(2,15)7-16)17-11-5-9(13)3-4-10(11)14/h3-5,8,16H,6-7,15H2,1-2H3
InChIKeyLSKLXBSSEGSZCJ-UHFFFAOYSA-N
MW261.34 g/mol
LogP2.55
Rot. Bonds5

About 2-amino-4-(2,5-difluorophenyl)sulfanyl-2-methylpentan-1-ol

2-amino-4-(2,5-difluorophenyl)sulfanyl-2-methylpentan-1-ol (PubChem CID 64807661) has the molecular formula C12H17F2NOS and a molecular weight of 261.34 g/mol. Its IUPAC name is 2-amino-4-(2,5-difluorophenyl)sulfanyl-2-methylpentan-1-ol.

Molecular Properties

Compound Name2-amino-4-(2,5-difluorophenyl)sulfanyl-2-methylpentan-1-ol
PubChem CID64807661
Molecular FormulaC12H17F2NOS
Molecular Weight261.34 g/mol
Exact Mass261.10
IUPAC Name2-amino-4-(2,5-difluorophenyl)sulfanyl-2-methylpentan-1-ol
SMILESCC(CC(C)(N)CO)Sc1cc(F)ccc1F
InChIInChI=1S/C12H17F2NOS/c1-8(6-12(2,15)7-16)17-11-5-9(13)3-4-10(11)14/h3-5,8,16H,6-7,15H2,1-2H3
InChIKeyLSKLXBSSEGSZCJ-UHFFFAOYSA-N
XLogP2.55
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2,5-difluorophenyl)sulfanyl-2-methylpentan-1-ol?
The IUPAC name of 2-amino-4-(2,5-difluorophenyl)sulfanyl-2-methylpentan-1-ol (CID 64807661) is 2-amino-4-(2,5-difluorophenyl)sulfanyl-2-methylpentan-1-ol.
What is the SMILES notation for 2-amino-4-(2,5-difluorophenyl)sulfanyl-2-methylpentan-1-ol?
The canonical SMILES for 2-amino-4-(2,5-difluorophenyl)sulfanyl-2-methylpentan-1-ol is CC(CC(C)(N)CO)Sc1cc(F)ccc1F.
What is the InChIKey of 2-amino-4-(2,5-difluorophenyl)sulfanyl-2-methylpentan-1-ol?
The InChIKey is LSKLXBSSEGSZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NOS/c1-8(6-12(2,15)7-16)17-11-5-9(13)3-4-10(11)14/h3-5,8,16H,6-7,15H2,1-2H3.
What are the key properties of 2-amino-4-(2,5-difluorophenyl)sulfanyl-2-methylpentan-1-ol?
2-amino-4-(2,5-difluorophenyl)sulfanyl-2-methylpentan-1-ol has a molecular weight of 261.34 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2,5-difluorophenyl)sulfanyl-2-methylpentan-1-ol is sourced from PubChem (CID 64807661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).