N-[(3-bromothiophen-2-yl)methyl]-1,1-difluoropropan-2-amine

C8H10BrF2NS — CID 102869789

IUPACN-[(3-bromothiophen-2-yl)methyl]-1,1-difluoropropan-2-amine
SMILESCC(NCc1sccc1Br)C(F)F
InChIInChI=1S/C8H10BrF2NS/c1-5(8(10)11)12-4-7-6(9)2-3-13-7/h2-3,5,8,12H,4H2,1H3
InChIKeyMZKFCQZMBXMXQH-UHFFFAOYSA-N
MW270.14 g/mol
LogP3.25
Rot. Bonds4

About N-[(3-bromothiophen-2-yl)methyl]-1,1-difluoropropan-2-amine

N-[(3-bromothiophen-2-yl)methyl]-1,1-difluoropropan-2-amine (PubChem CID 102869789) has the molecular formula C8H10BrF2NS and a molecular weight of 270.14 g/mol. Its IUPAC name is N-[(3-bromothiophen-2-yl)methyl]-1,1-difluoropropan-2-amine.

Molecular Properties

Compound NameN-[(3-bromothiophen-2-yl)methyl]-1,1-difluoropropan-2-amine
PubChem CID102869789
Molecular FormulaC8H10BrF2NS
Molecular Weight270.14 g/mol
Exact Mass268.97
IUPAC NameN-[(3-bromothiophen-2-yl)methyl]-1,1-difluoropropan-2-amine
SMILESCC(NCc1sccc1Br)C(F)F
InChIInChI=1S/C8H10BrF2NS/c1-5(8(10)11)12-4-7-6(9)2-3-13-7/h2-3,5,8,12H,4H2,1H3
InChIKeyMZKFCQZMBXMXQH-UHFFFAOYSA-N
XLogP3.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.14
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-1,1-difluoropropan-2-amine?
The IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-1,1-difluoropropan-2-amine (CID 102869789) is N-[(3-bromothiophen-2-yl)methyl]-1,1-difluoropropan-2-amine.
What is the SMILES notation for N-[(3-bromothiophen-2-yl)methyl]-1,1-difluoropropan-2-amine?
The canonical SMILES for N-[(3-bromothiophen-2-yl)methyl]-1,1-difluoropropan-2-amine is CC(NCc1sccc1Br)C(F)F.
What is the InChIKey of N-[(3-bromothiophen-2-yl)methyl]-1,1-difluoropropan-2-amine?
The InChIKey is MZKFCQZMBXMXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrF2NS/c1-5(8(10)11)12-4-7-6(9)2-3-13-7/h2-3,5,8,12H,4H2,1H3.
What are the key properties of N-[(3-bromothiophen-2-yl)methyl]-1,1-difluoropropan-2-amine?
N-[(3-bromothiophen-2-yl)methyl]-1,1-difluoropropan-2-amine has a molecular weight of 270.14 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromothiophen-2-yl)methyl]-1,1-difluoropropan-2-amine is sourced from PubChem (CID 102869789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).