2-bromo-5-[2-(chloromethyl)pentyl]thiophene

C10H14BrClS — CID 66036110

IUPAC2-bromo-5-[2-(chloromethyl)pentyl]thiophene
SMILESCCCC(CCl)Cc1ccc(Br)s1
InChIInChI=1S/C10H14BrClS/c1-2-3-8(7-12)6-9-4-5-10(11)13-9/h4-5,8H,2-3,6-7H2,1H3
InChIKeyKCZUZZSNCCSXPI-UHFFFAOYSA-N
MW281.65 g/mol
LogP4.71
Rot. Bonds5

About 2-bromo-5-[2-(chloromethyl)pentyl]thiophene

2-bromo-5-[2-(chloromethyl)pentyl]thiophene (PubChem CID 66036110) has the molecular formula C10H14BrClS and a molecular weight of 281.65 g/mol. Its IUPAC name is 2-bromo-5-[2-(chloromethyl)pentyl]thiophene.

Molecular Properties

Compound Name2-bromo-5-[2-(chloromethyl)pentyl]thiophene
PubChem CID66036110
Molecular FormulaC10H14BrClS
Molecular Weight281.65 g/mol
Exact Mass279.97
IUPAC Name2-bromo-5-[2-(chloromethyl)pentyl]thiophene
SMILESCCCC(CCl)Cc1ccc(Br)s1
InChIInChI=1S/C10H14BrClS/c1-2-3-8(7-12)6-9-4-5-10(11)13-9/h4-5,8H,2-3,6-7H2,1H3
InChIKeyKCZUZZSNCCSXPI-UHFFFAOYSA-N
XLogP4.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.65
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-5-(3-chloro-2-methylpropyl)thiophene
CID 66036533
2-bromo-5-[5-[5-[5-(2-octyldodecyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophene
CID 24746553
2-bromo-5-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]thiophene
CID 66048354
1-(5-bromothiophen-2-yl)butan-2-amine
CID 43565983
4-bromo-2-[2-(chloromethyl)pentyl]-1-fluorobenzene
CID 66035206
2-bromo-5-[2-(4-bromophenyl)-3-chloropropyl]thiophene
CID 79435351
1-(5-bromothiophen-2-yl)-N-propan-2-ylhexan-2-amine
CID 79411660
[1-(5-bromothiophen-2-yl)-3-ethylpentan-2-yl]hydrazine
CID 105295618
2-[(5-ethylthiophen-2-yl)methyl]pentan-1-amine
CID 62505549
1-(5-bromothiophen-2-yl)-3-ethylheptan-2-one
CID 114967313
N-[2-[(5-bromothiophen-2-yl)methyl]butyl]cyclopropanamine
CID 62531192
N-[2-(5-bromothiophen-2-yl)ethyl]-2-methylpentan-1-amine
CID 106043149

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[2-(chloromethyl)pentyl]thiophene?
The IUPAC name of 2-bromo-5-[2-(chloromethyl)pentyl]thiophene (CID 66036110) is 2-bromo-5-[2-(chloromethyl)pentyl]thiophene.
What is the SMILES notation for 2-bromo-5-[2-(chloromethyl)pentyl]thiophene?
The canonical SMILES for 2-bromo-5-[2-(chloromethyl)pentyl]thiophene is CCCC(CCl)Cc1ccc(Br)s1.
What is the InChIKey of 2-bromo-5-[2-(chloromethyl)pentyl]thiophene?
The InChIKey is KCZUZZSNCCSXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrClS/c1-2-3-8(7-12)6-9-4-5-10(11)13-9/h4-5,8H,2-3,6-7H2,1H3.
What are the key properties of 2-bromo-5-[2-(chloromethyl)pentyl]thiophene?
2-bromo-5-[2-(chloromethyl)pentyl]thiophene has a molecular weight of 281.65 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[2-(chloromethyl)pentyl]thiophene is sourced from PubChem (CID 66036110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).